p-Cymene

Formula: C₁₀H₁₄
Molecular weight: 134.2182
IUPAC Standard InChI: InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
IUPAC Standard InChIKey: HFPZCAJZSCWRBC-UHFFFAOYSA-N
CAS Registry Number: 99-87-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Isotopologues:
- d14 Cymene
Other names: Benzene, 1-methyl-4-(1-methylethyl)-; p-Cimene; p-Cymol; p-Isopropyltoluene; p-Methylisopropylbenzene; Camphogen; Dolcymene; 1-Isopropyl-4-methylbenzene; 1-Methyl-4-isopropylbenzene; 2-p-Tolylpropane; 4-Isopropyl-1-methylbenzene; 1-Methyl-4-(1-methylethyl)-benzene; Benzene, 1-isopropyl-4-methyl-; Cumene, p-methyl-; p-Isopropylmethylbenzene; Paracymene; Paracymol; p-Methylcumene; 4-Isopropyltoluene; 4-Methylisopropylbenzene; 1-(1-methylethyl)-4-methylbenzene; benzene, 1-methyl-4-methylethyl-; p-Mentha-1,3,5-triene; NSC 4162; Cymene; Cymol
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Kovats' RI, non-polar column, temperature ramp

Go To: Top, References, Notes

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	DB-5	DB-5MS	HP-5MS	HP-5MS
Column length (m)	30.	30.	30.	30.	60.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.26	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	50.	60.	60.	60.	40.
T_end (C)	240.	246.	180.	280.	250.
Heat rate (K/min)	3.	3.	3.	2.	3.
Initial hold (min)	3.			8.	1.
Final hold (min)			15.	30.	20.
I	1021.	1026.	1023.	1026.	1030.
Reference	Kartal N., Sokmen M., et al., 2007	Adams, González Elizondo, et al., 2006	Angioni, Barra, et al., 2006	Hazzit, Baaliouamer, et al., 2006	Jalali-Heravi, Zekavat, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-5	BP-1	DB-5	HP-5MS
Column length (m)	30.	25.	30.	30.	30.
Carrier gas	He		N2		He
Substrate
Column diameter (mm)	0.25	0.2	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.33	0.25	0.25	0.25
T_start (C)	60.	60.	60.	40.	50.
T_end (C)		240.	220.	210.	240.
Heat rate (K/min)	3.	3.	5.	2.	3.
Initial hold (min)				2.
Final hold (min)			3.	33.
I	1024.	1027.	1010.	1025.	992.
Reference	Lucero, Fredrickson, et al., 2006	Oliveira, Leitao, et al., 2006	Srivastava, Srivastava, et al., 2006	Sylvestre, Pichette, et al., 2006	Tepe, Askin Akpulat, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	HP-5MS	BP-5	DB-5MS
Column length (m)	30.	30.	30.	50.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.26	0.26	0.25	0.32	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	50.	50.	60.
T_end (C)	246.	246.	250.	260.	240.
Heat rate (K/min)	3.	3.	3.	5.	3.
Initial hold (min)			10.	2.
Final hold (min)			5.	5.
I	1025.	1026.	1026.	1026.	1024.
Reference	Adams, Morris, et al., 2005	Adams and Nguyen, 2005	Asuming, Beauchamp, et al., 2005	Baranauskiene, Venskutonis, et al., 2005	Maia, Andrade, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	HP-5MS	DB-5	DB-5MS
Column length (m)	30.		30.	30.	30.
Carrier gas	Helium		He	He	He
Substrate
Column diameter (mm)	0.25		0.25	0.25	0.25
Phase thickness (μm)	0.25		0.25	0.25	0.25
T_start (C)	60.	60.	50.	40.	60.
T_end (C)	255.	240.	240.	230.	180.
Heat rate (K/min)	3.	3.	3.	8.	3.
Initial hold (min)					15.
Final hold (min)				4.
I	1027.	1026.	992.	1022.3	1025.
Reference	Medina, Lucero, et al., 2005	Shatar S., 2005	Tepe, Sokmen, et al., 2005	Ament K., Kant M.R., et al., 2004	Angioni, Barra, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	SPB-1	SPB-5	HP-5MS	HP-5
Column length (m)	30.	30.	60.	30.	30.
Carrier gas	H2	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25	1.	0.25	0.25
T_start (C)	40.	50.	60.	60.	60.
T_end (C)	280.	250.	200.	200.	260.
Heat rate (K/min)	4.	2.	4.	4.	3.
Initial hold (min)		2.		1.
Final hold (min)	30.	5.	30.	15.
I	1027.	1012.	1029.	1026.	1027.
Reference	Avato, Raffo, et al., 2004	Behera, Nagarajan, et al., 2004	Gauvin, Lecomte, et al., 2004	Juliani, Zygadlo, et al., 2004	Lopes, Strobl, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	CP Sil 5 CB	CP Sil 8 CB	HP-5MS	DB-1
Column length (m)	25.	25.	30.	30.	50.
Carrier gas	He	H2	H2	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.25
Phase thickness (μm)	0.25	0.15	0.25	0.25	0.25
T_start (C)	60.	50.	50.	70.	95.
T_end (C)	180.	230.	220.	250.	240.
Heat rate (K/min)	5.	3.	3.	3.	4.
Initial hold (min)	6.		2.	5.
Final hold (min)	15.
I	1028.	1014.	1015.	1020.	1014.
Reference	Merle, Morón, et al., 2004	Ogunwande, Olawore, et al., 2004	Schwob, Bessiere, et al., 2004	Siani, Garrido, et al., 2004	Velasco-Negueruela, Sanz, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	BP-1	DB-5	HP-5MS	HP-5
Column length (m)	25.	39.	50.	30.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)		0.25	0.25	0.25	1.
T_start (C)	40.	60.	50.	50.	40.
T_end (C)	280.	280.	280.	280.	250.
Heat rate (K/min)	3.	4.	5.	4.	5.
Initial hold (min)	5.	4.	2.	2.	1.
Final hold (min)	5.		10.	10.
I	1024.	1021.	1031.	1024.	1034.
Reference	Amparo Blázquez, Pérez, et al., 2003	Asghari, Sajjadi, et al., 2003	Baranauskiene, Venskutonis, et al., 2003	Baranauskiene, Venskutonis, et al., 2003, 2	Bouzouita, Kachouri, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	DB-5	CP Sil 5 CB	CP Sil 5 CB	BP-1
Column length (m)	30.	30.	25.	25.	25.
Carrier gas	He	He	He	H2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.55
Phase thickness (μm)	0.25	0.25	0.15	0.15	0.25
T_start (C)	60.	60.	50.	50.	60.
T_end (C)	280.		230.	230.	220.
Heat rate (K/min)	3.	3.	3.	3.	5.
Initial hold (min)
Final hold (min)					15.
I	1010.	1027.	1016.	1016.	1020.
Reference	Couladis, Chinou, et al., 2003	Lucero, Estell, et al., 2003	Ogunwande, Olawore, et al., 2003	Ogunwande, Olawore, et al., 2003, 2	Srivastava, Ahmad, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	DB-5	DB-5	DB-5
Column length (m)	30.	60.	60.	25.	30.
Carrier gas	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.22	0.25
Phase thickness (μm)	0.25	1.	1.	0.25	0.5
T_start (C)	50.	40.	40.	60.	50.
T_end (C)	250.	230.	230.	240.	250.
Heat rate (K/min)	0.5	3.	3.	3.	7.
Initial hold (min)	5.	5.	5.		3.
Final hold (min)	10.	2.	2.		10.
I	1029.	1034.	1034.	1031.	1026.
Reference	Viña and Murillo, 2003	Buchin, Salmon, et al., 2002	Buchin, Salmon, et al., 2002	El-Ghorab, Fadel, et al., 2002	El-Massry, El-Ghorab, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SE-30	CP Sil 5 CB	Methyl Silicone	SE-30	BP-1
Column length (m)	30.	25.	50.	25.	60.
Carrier gas	He	He	He	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.22	0.32
Phase thickness (μm)			0.25	0.25	0.25
T_start (C)	60.	50.	70.	70.	60.
T_end (C)	240.	230.	240.	220.	220.
Heat rate (K/min)	4.	3.	4.	4.	5.
Initial hold (min)
Final hold (min)
I	1016.	1016.	1008.	1009.	1017.
Reference	Juliani, Koroch, et al., 2002	Kasali, Adio, et al., 2002	Palá-Paúl, Pérez-Alonso, et al., 2002	Palá-Paúl, Velasco-Negueruela, et al., 2002	Raina, Lal, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	BP-1	Cross-Linked Methylsilicone	HP-5MS	BP-1
Column length (m)	25.	25.	50.	30.	30.
Carrier gas	N2	N2	He	He	N2
Substrate
Column diameter (mm)	0.32	0.55	0.2	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	100.	50.	60.
T_end (C)	220.	220.	280.	250.	220.
Heat rate (K/min)	5.	5.	4.	3.	5.
Initial hold (min)
Final hold (min)	15.	15.			13.
I	1018.	1014.	1015.	1025.	1011.
Reference	Raina, Srivastava, et al., 2002	Raina, Srivastava, et al., 2002, 2	Rajeswara Rao, Kaul, et al., 2002	Salido, Altarejos, et al., 2002	Shawl, Srivastava, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	DB-5	PTE-5	PTE-5	BP-1
Column length (m)	50.	25.	60.	60.	25.
Carrier gas	He	He	H2	H2	N2
Substrate
Column diameter (mm)	0.25	0.20	0.32	0.32	0.55
Phase thickness (μm)	0.25	0.25	0.39	0.39	0.25
T_start (C)	50.	50.	60.	60.	60.
T_end (C)	250.	240.	285.	285.	220.
Heat rate (K/min)	2.5	5.	4.3	4.3	5.
Initial hold (min)	5.
Final hold (min)					15.
I	1026.	1026.	1024.	1027.	1013.
Reference	Yáñez, Pinzón, et al., 2002	Akrout, Chemli, et al., 2001	Gudzic, Dordevic, et al., 2001	Gudzic, Dordevic, et al., 2001	Jain, Aggarwal, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	DB-5	DB-1	BP-1	HP-1
Column length (m)	25.	30.	50.	25.	25.
Carrier gas	H2	H2	N2	N2	He
Substrate
Column diameter (mm)	0.32	0.20	0.25	0.55	0.2
Phase thickness (μm)	0.52		0.25	0.25	0.25
T_start (C)	40.	60.	80.	60.	100.
T_end (C)	240.	240.	225.	220.	220.
Heat rate (K/min)	4.	3.	4.	5.	4.
Initial hold (min)
Final hold (min)				15.
I	1026.	1025.	1010.	1019.	1012.
Reference	Kitic, Palic, et al., 2001	Moreira, Sousa, et al., 2001	Palá-Paúl, Velasco-Negueruela, et al., 2001	Raina, Srivastava, et al., 2001	Rajeswara Rao, 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-1	HP-5	DB-1	SE-54
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	He	He		He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.26
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	40.	60.	80.	60.
T_end (C)	260.	260.	280.	225.	246.
Heat rate (K/min)	2.	2.	3.	4.	3.
Initial hold (min)	5.	5.
Final hold (min)	20.	20.
I	1072.	1013.	1024.	1017.	1026.
Reference	Senatore and Rigano, 2001	Senatore and Rigano, 2001	Tzakou and Couladis, 2001	Abella, Cortella, et al., 2000	Adams, 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	SE-54	DB-5	SE-30	HP-5
Column length (m)	30.	30.	30.	25.	30.
Carrier gas	He		He	He	He
Substrate
Column diameter (mm)	0.26	0.26	0.26	0.22	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	70.	70.
T_end (C)	240.	246.	246.	220.	250.
Heat rate (K/min)	3.	3.	3.	5.	3.
Initial hold (min)
Final hold (min)
I	1026.	1026.	1026.	1010.	1026.
Reference	Adams, 2000, 2	Adams, 2000, 3	Adams, 2000, 4	Kardali, Velasco-Negueruela, et al., 2000	Ramos, Siani, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	HP-5MS	DB-5	DB-5	SE-30
Column length (m)	25.	30.	30.	30.	25.
Carrier gas	N2	He		He	He
Substrate
Column diameter (mm)	0.50	0.25	0.32	0.26	0.2
Phase thickness (μm)	0.25	0.25		0.25
T_start (C)	60.	60.	50.	60.	60.
T_end (C)	220.	280.	250.	246.	180.
Heat rate (K/min)	5.	3.	3.	3.	3.
Initial hold (min)			5.		10.
Final hold (min)	10.
I	1013.	1026.	1025.	1026.	1015.
Reference	Rao, Sastry, et al., 2000	Roussis, Tsoukatou, et al., 2000	Tzakou, Harvala, et al., 2000	Adams, 1999	Jantan I. and Ahmad A.S., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	DB-5	HP-5MS	DB-5	BP-1
Column length (m)	30.	30.	30.	30.	50.
Carrier gas	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.33	0.25	0.25	0.25
T_start (C)	60.	40.	70.	60.	60.
T_end (C)	280.	260.	250.	240.	260.
Heat rate (K/min)	4.	2.	3.	3.	2.
Initial hold (min)		5.	5.
Final hold (min)		20.
I	1023.	1017.	1021.	1024.	1017.
Reference	Sajjadi and Ghassemi, 1999	Senatore and de Feo, 1999	Siani, Ramos, et al., 1999	da Silva, Andrade, et al., 1999	Vera and Chane-Ming, 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	Methyl Silicone	DB-1	DB-5	CP Sil 5 CB
Column length (m)	50.	30.	60.	30.	25.
Carrier gas		He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	50.	40.	60.
T_end (C)	260.	250.	250.	250.	280.
Heat rate (K/min)	2.	2.	3.	2.	5.
Initial hold (min)		2.	5.	5.
Final hold (min)		5.	10.	20.
I	1020.	1019.	1008.	1017.	1016.
Reference	Vera and Chane-Ming, 1999	Adegoke, Rao, et al., 1998	Bylaite, Venskutonis, et al., 1998	de Feo, Porta, et al., 1998	Kaul and Vats, 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	Methyl Silicone	DB-5	DB-5	DB-5
Column length (m)	25.	25.	30.	30.	30.
Carrier gas	N2	N2	He	He	He
Substrate
Column diameter (mm)	0.25	0.5	0.25	0.25	0.25
Phase thickness (μm)			0.25	0.25	0.25
T_start (C)	60.	60.	40.	40.	60.
T_end (C)	220.	220.	250.	250.	240.
Heat rate (K/min)	5.	5.	2.	2.	4.
Initial hold (min)			5.	5.
Final hold (min)			20.	20.
I	1013.	1014.	1017.	1017.	1024.
Reference	Kulkarni, Mallavarapu, et al., 1998	Mallavarapu, Rao, et al., 1998	Senatore, Urrunaga Soria, et al., 1998	Senatore, 1998	Zoghbi, Andrade, et al., 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	DB-1	BPX-5	DB-5	DB-5
Column length (m)	50.	25.	50.	30.	30.
Carrier gas	He	He	N2	He	He
Substrate
Column diameter (mm)	0.22	0.23	0.22	0.25	0.25
Phase thickness (μm)	1.	0.13	0.25	0.25	0.25
T_start (C)	50.	60.	60.	40.	60.
T_end (C)	220.	200.	185.	250.	240.
Heat rate (K/min)	3.	4.	2.	2.	3.
Initial hold (min)		2.	10.	5.
Final hold (min)				20.
I	1016.	1022.	1022.	1017.	1025.
Reference	Breheret, Talou, et al., 1997	Breheret, Talou, et al., 1997	Fournier, Hadjiakhoondi, et al., 1997	Senatore, Urrunaga Soria, et al., 1997	Tellez, Estell, et al., 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	OV-101	SE-30	DB-5	DB-5
Column length (m)	50.	25.	25.	30.	30.
Carrier gas	N2	N2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.2
Phase thickness (μm)	0.2	0.25
T_start (C)	80.	50.	60.	40.	40.
T_end (C)	200.	200.	180.	210.	210.
Heat rate (K/min)	2.	5.	3.	2.	2.
Initial hold (min)			10.	2.	2.
Final hold (min)	60.		1.	120.	120.
I	1018.	1016.	1015.	1022.	1024.
Reference	Padrayuttawat, Tamura, et al., 1996	von Poser, Menut, et al., 1996	Jantan, Ali, et al., 1995	Loayza, Abujder, et al., 1995	Loayza, Abujder, et al., 1995
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	OV-101	DB-1	DB-5	HP-1
Column length (m)	30.	25.	28.	30.	15.
Carrier gas		N2	He	He
Substrate
Column diameter (mm)		0.25	0.25	0.32	0.32
Phase thickness (μm)			0.25	0.25
T_start (C)	40.	50.	50.	50.	40.
T_end (C)	210.	200.	270.	300.	240.
Heat rate (K/min)	2.	5.	4.	6.	6.
Initial hold (min)	2.		1.	2.
Final hold (min)	120.				10.
I	1025.	1016.	1010.	1048.4	1018.
Reference	Loayza, Abujder, et al., 1995	Menut, Molangui, et al., 1995	Saad, El-Sharkawy, et al., 1995	Wang, Fingas, et al., 1994	Raharivelomanana, Cambon, et al., 1993
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-1	Methyl Silicone	SE-54	BP-1	OV-1
Column length (m)	50.	12.	30.	50.	23.
Carrier gas	He		He	He	H2
Substrate
Column diameter (mm)	0.20	0.5	0.25		0.32
Phase thickness (μm)			0.25		0.3
T_start (C)	35.	70.	0.	-100.	50.
T_end (C)	200.	250.	250.	200.	200.
Heat rate (K/min)	3.	4.	12.	2.	3.
Initial hold (min)	5.		12.
Final hold (min)	20.	15.
I	1018.	1011.4	1019.	1010.	1007.
Reference	Wong and Tie, 1993	Rao, Rajanikanth, et al., 1989	Rembold, Wallner, et al., 1989	Bartley, 1988	Bicchi, Frattini, et al., 1988
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	OV-101	OV-101	DB-1	DB-1
Column length (m)	50.	50.	50.	60.	60.
Carrier gas	H2			He	He
Substrate
Column diameter (mm)	0.33	0.23	0.23	0.25	0.25
Phase thickness (μm)				1.	1.
T_start (C)	65.	80.	80.	40.	40.
T_end (C)	220.	200.	200.	250.	250.
Heat rate (K/min)	5.	2.	2.	12.	4.
Initial hold (min)	2.			4.
Final hold (min)
I	1013.	1018.	1020.	1041.	1029.
Reference	Ekundayo, Laakso, et al., 1988	Ohnishi and Shibamoto, 1984	Ohnishi and Shibamoto, 1984	Burns and Tingey, 1983	Burns and Tingey, 1983
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	OV-101	OV-101	Apiezon L
Column length (m)	110.	70.	70.	50.
Carrier gas	He	N2	N2	N2
Substrate
Column diameter (mm)	0.25	0.28	0.28	0.25
Phase thickness (μm)	0.20
T_start (C)	35.	80.	80.	60.
T_end (C)	200.	200.	200.
Heat rate (K/min)	1.	2.	2.	1.
Initial hold (min)
Final hold (min)
I	1009.	1016.	1019.	1034.
Reference	Hayes and Pitzer, 1982	Yamaguchi and Shibamoto, 1981	Yamaguchi and Shibamoto, 1981	Louis, 1971
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Kovats' RI, non-polar column, temperature ramp, Notes

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Raina, V.K.; Srivastava, S.K.; Syamasunder, K.V., The essential oil of 'greater galangal' [Alpinia galanga (L.) Willd.] from the lower Himalayan region of India, Flavour Fragr. J., 2002, 17, 5, 358-360, https://doi.org/10.1002/ffj.1105 . [all data]

Raina, Srivastava, et al., 2002, 2
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Yáñez, Pinzón, et al., 2002
Yáñez, X.; Pinzón, M.L.; Solano, F.; Sánchez, L.R., Chemical composition of the essential oil of Psidium caudatum McVaugh, Molecules, 2002, 7, 9, 712-716, https://doi.org/10.3390/70900712 . [all data]

Akrout, Chemli, et al., 2001
Akrout, A.; Chemli, R.; Chreïf, I.; Hammami, M., Analysis of the essential oil of Artemisia campestris L., Flavour Fragr. J., 2001, 16, 5, 337-339, https://doi.org/10.1002/ffj.1006 . [all data]

Gudzic, Dordevic, et al., 2001
Gudzic, B.; Dordevic, S.; Palic, R.; Stojanovic, G., Essential oils of Hypericum olympicum L. and Hypericum perforatum L., Flavour Fragr. J., 2001, 16, 3, 201-203, https://doi.org/10.1002/ffj.978 . [all data]

Jain, Aggarwal, et al., 2001
Jain, N.; Aggarwal, K.K.; Syamasundar, K.V.; Srivastava, S.K.; Kumar, S., Essential oil composition of geranium (Pelargonium sp.) from the plains of Northern India, Flavour Fragr. J., 2001, 16, 1, 44-46, https://doi.org/10.1002/1099-1026(200101/02)16:1<44::AID-FFJ943>3.0.CO;2-X . [all data]

Kitic, Palic, et al., 2001
Kitic, D.; Palic, R.; Ristic, M.; Sojanovic, G.; Jovanovic, T., The volatile constituents of Calamintha sylvatica Bromf. subsp. sylvatica, Flavour Fragr. J., 2001, 16, 4, 257-258, https://doi.org/10.1002/ffj.995 . [all data]

Moreira, Sousa, et al., 2001
Moreira, D.L.; Sousa, P.O.; Pereira, N.A.; Cardoso, G.L., Effect of leaf essential oil from Piper solmsianum C.DC. in mice behaviour, An. Acad. Bras. Cienc., 2001, 73, 1, 1-7, https://doi.org/10.1590/S0001-37652001000100004 . [all data]

Palá-Paúl, Velasco-Negueruela, et al., 2001
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Sanz, J., Analysis of the volatile components of Argyranthemum adauctum (Link.) Humphries by gas chromatography-mass spectrometry, J. Chromatogr. A, 2001, 923, 1-2, 295-298, https://doi.org/10.1016/S0021-9673(01)01003-2 . [all data]

Raina, Srivastava, et al., 2001
Raina, V.K.; Srivastava, S.K.; Aggarwal, K.K.; Ramesh, S.; Kumar, S., Essential oil composition of Cinnamomum zeylanicum Blume leaves from Little Andaman, India, Flavour Fragr. J., 2001, 16, 5, 374-376, https://doi.org/10.1002/ffj.1016 . [all data]

Rajeswara Rao, 2001
Rajeswara Rao, B.R., Biomass and essential oil yields of rainfed palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.) supplied with different levels of organic manure and fertilizer nitrogen in semi-arid tropical climate, Ind. Crops Prod., 2001, 14, 3, 171-178, https://doi.org/10.1016/S0926-6690(01)00081-4 . [all data]

Senatore and Rigano, 2001
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Tzakou and Couladis, 2001
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Abella, Cortella, et al., 2000
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Adams, 2000
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Adams, 2000, 2
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Adams, 2000, 3
Adams, R.P., Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4 . [all data]

Adams, 2000, 4
Adams, R.P., The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3 . [all data]

Kardali, Velasco-Negueruela, et al., 2000
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Ramos, Siani, et al., 2000
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Rao, Sastry, et al., 2000
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Roussis, Tsoukatou, et al., 2000
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Tzakou, Harvala, et al., 2000
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Adams, 1999
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Jantan I. and Ahmad A.S., 1999
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Sajjadi and Ghassemi, 1999
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Senatore and de Feo, 1999
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Siani, Ramos, et al., 1999
Siani, A.C.; Ramos, M.F.S.; Menezes-de-Lima, O., Jr.; Ribeiro-dos-Santos, R.; Fernadez-Ferreira, E.; Soares, R.O.A.; Rosas, E.C.; Susunaga, G.S.; Guimarães, A.C.; Zoghbi, M.G.B.; Henriques, M.G.M.O., Evaluation of anti-inflammatory-related activity of essential oils from the leaves and resin of species of Protium, J. Ethnopharmacol., 1999, 66, 1, 57-69, https://doi.org/10.1016/S0378-8741(98)00148-2 . [all data]

da Silva, Andrade, et al., 1999
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Vera and Chane-Ming, 1999
Vera, R.R.; Chane-Ming, J., Chemical composition of the essential oil of marjoram (Origanum majorana L.) from Reunion Island, Food Chem., 1999, 66, 2, 143-145, https://doi.org/10.1016/S0308-8146(98)00018-1 . [all data]

Adegoke, Rao, et al., 1998
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Bylaite, Venskutonis, et al., 1998
Bylaite, E.; Venskutonis, R.P.; Roozen, J.P., Influence of harvesting time on the composition of volatile components in different anatomical parts of lovage (Levisticum officinale Koch.), J. Agric. Food Chem., 1998, 46, 9, 3735-3740, https://doi.org/10.1021/jf9800559 . [all data]

de Feo, Porta, et al., 1998
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Kaul and Vats, 1998
Kaul, V.K.; Vats, S.K., Essential oil composition of Bothriochloa pertusa and phyletic relationship in aromatic grasses, Biochem. Syst. Ecol., 1998, 26, 3, 347-356, https://doi.org/10.1016/S0305-1978(97)00103-8 . [all data]

Kulkarni, Mallavarapu, et al., 1998
Kulkarni, R.N.; Mallavarapu, G.R.; Baskaran, K.; Ramesch, S.; Kumar, S., Composition of the essential oils of two isomenthone-rich variants of geranium (Pelargonium sp.), Flavour Fragr. J., 1998, 13, 6, 389-392, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<389::AID-FFJ757>3.0.CO;2-2 . [all data]

Mallavarapu, Rao, et al., 1998
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Senatore, Urrunaga Soria, et al., 1998
Senatore, F.; Urrunaga Soria, E.; Urrunaga Soria, R.; Porta, G.D.; de Feo, V., Essential oil from two peruvian Satureja species, Flavour Fragr. J., 1998, 13, 1, 1-4, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<1::AID-FFJ672>3.0.CO;2-4 . [all data]

Senatore, 1998
Senatore, F., Volatile constituents of Minthostachys setosa (Briq.) Epl. (Lamiaceae) from Peru, Flavour Fragr. J., 1998, 13, 4, 263-265, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<263::AID-FFJ738>3.0.CO;2-H . [all data]

Zoghbi, Andrade, et al., 1998
Zoghbi, M.G.B.; Andrade, E.H.A.; Santos, A.S.; Silva, M.H.L.; Maia, J.G.S., Essential oils of Lippia alba (Mill.) N. E. Br growing wild in the Brazilian Amazon, Flavour Fragr. J., 1998, 13, 1, 47-48, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<47::AID-FFJ690>3.0.CO;2-0 . [all data]

Breheret, Talou, et al., 1997
Breheret, S.; Talou, T.; Rapior, S.; Bessiére, J.-M., Monoterpenes in the aroma of fresh wild mushrooms (Basidiomycetes), J. Agric. Food Chem., 1997, 45, 3, 831-836, https://doi.org/10.1021/jf960417h . [all data]

Fournier, Hadjiakhoondi, et al., 1997
Fournier, G.; Hadjiakhoondi, A.; Leboeuf, M.; Cavé, A.; Charles, B., Essential oils of annonaceae. Part VII. Essential oils of Monanthotaxis declina (Sprague) verdcourt and Unonopsis guatterioides R. E. Fries, Flavour Fragr. J., 1997, 12, 2, 95-98, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<95::AID-FFJ611>3.0.CO;2-Z . [all data]

Senatore, Urrunaga Soria, et al., 1997
Senatore, F.; Urrunaga Soria, E.; Urrunaga Soria, R.; Porta, G.D.; Taddeo, R.; de Feo, V., Essential oil of Eremocharis triradiata (Wolff.) Johnston (Apiaceae) growing wild in Perú, Flavour Fragr. J., 1997, 12, 4, 257-259, https://doi.org/10.1002/(SICI)1099-1026(199707)12:4<257::AID-FFJ645>3.0.CO;2-4 . [all data]

Tellez, Estell, et al., 1997
Tellez, M.R.; Estell, R.E.; Fredrickson, E.L.; Havstad, K.M., Essential oil of Dyssodia acerosa DC., J. Agric. Food Chem., 1997, 45, 8, 3276-3278, https://doi.org/10.1021/jf9701502 . [all data]

Padrayuttawat, Tamura, et al., 1996
Padrayuttawat, A.; Tamura, H.; Yamao, M., A split injection system for the analysis of purge and trap headspace of the volatile components in Citrus sudachi, J. Hi. Res. Chromatogr., 1996, 19, 6, 365-369, https://doi.org/10.1002/jhrc.1240190613 . [all data]

von Poser, Menut, et al., 1996
von Poser, G.L.; Menut, C.; Toffoli, M.E.; Vérin, P.; Sobral, M.; Bessière, J.-M.; Lamaty, G.; Henriques, A.T., Essential oil composition and allelopathic effect of the Brazilian Lamiaceae Hesperozygis ringens (Benth.) Epling and Hesperozygis rhododon Epling, J. Agric. Food Chem., 1996, 44, 7, 1829-1832, https://doi.org/10.1021/jf950653c . [all data]

Jantan, Ali, et al., 1995
Jantan, I.; Ali, N.A.M.; Ahmad, A.S.; Ahmad, A.R., Constituents of the essential oil of Leptospermum javanicum blume from peninsular Malaysia, Flavour Fragr. J., 1995, 10, 4, 255-258, https://doi.org/10.1002/ffj.2730100406 . [all data]

Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I., Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia, Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7 . [all data]

Menut, Molangui, et al., 1995
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Saad, El-Sharkawy, et al., 1995
Saad, H.-E.A.; El-Sharkawy, S.H.; Halim, A.F., Essential oils of Daucus carota ssp. maximus, Pharm. Acta Helv., 1995, 70, 1, 79-84, https://doi.org/10.1016/0031-6865(94)00054-Y . [all data]

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Raharivelomanana, P.; Cambon, A.; Azzaro, M.; Bianchini, J.-P.; Claude-Lafontaine, A.; George, G., Volatile Constituents of Neocallitropsis pancheri (Carriere) de Laubenfels Heartwood Extracts (Cupressaceae), J. Essent. Oil Res., 1993, 5, 6, 587-595, https://doi.org/10.1080/10412905.1993.9698289 . [all data]

Wong and Tie, 1993
Wong, K.C.; Tie, D.Y., The Essential Oil of the Leaves of Murraya koenigii Spreng., J. Essent. Oil Res., 1993, 5, 4, 371-374, https://doi.org/10.1080/10412905.1993.9698245 . [all data]

Rao, Rajanikanth, et al., 1989
Rao, A.S.; Rajanikanth, B.; Seshadri, R., Volatile aroma components of Curcuma amada Roxb., J. Agric. Food Chem., 1989, 37, 3, 740-743, https://doi.org/10.1021/jf00087a036 . [all data]

Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F., Volatile components of chickpea (Cicer arietinum L.) seed, J. Agric. Food Chem., 1989, 37, 3, 659-662, https://doi.org/10.1021/jf00087a018 . [all data]

Bartley, 1988
Bartley, J.P., Volatile flavours of Australian tropical fruits, Biomed. Environ. Mass Spectrom., 1988, 16, 1-12, 201-205, https://doi.org/10.1002/bms.1200160136 . [all data]

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Ohnishi and Shibamoto, 1984
Ohnishi, S.; Shibamoto, T., Volatile compounds from heated beef fat and beef fat with glycine, J. Agric. Food Chem., 1984, 32, 5, 987-992, https://doi.org/10.1021/jf00125a008 . [all data]

Burns and Tingey, 1983
Burns, W.F.; Tingey, D.T., GC/MS Analysis of biogenic volatile hydrocarbons on a chemically-bonded fused silica column, J. Chromatogr. Sci., 1983, 21, 8, 341-345, https://doi.org/10.1093/chromsci/21.8.341 . [all data]

Hayes and Pitzer, 1982
Hayes, P.C., Jr.; Pitzer, E.W., Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices, J. Chromatogr., 1982, 253, 179-198, https://doi.org/10.1016/S0021-9673(01)88376-X . [all data]

Yamaguchi and Shibamoto, 1981
Yamaguchi, K.; Shibamoto, T., Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita), J. Agric. Food Chem., 1981, 29, 2, 366-370, https://doi.org/10.1021/jf00104a035 . [all data]

Louis, 1971
Louis, R., Kovats-index-tafeln zur gaschromatographischen analyse von kohlenwasserstoffgemischen, Erdoel Kohle Erdgas Petrochem., 1971, 24, 2, 88-94. [all data]

Notes

Go To: Top, Kovats' RI, non-polar column, temperature ramp, References

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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