Benzenemethanol, α,α,4-trimethyl-

Formula: C₁₀H₁₄O
Molecular weight: 150.2176
IUPAC Standard InChI: InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3
IUPAC Standard InChIKey: XLPDVYGDNRIQFV-UHFFFAOYSA-N
CAS Registry Number: 1197-01-9
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.
Other names: p-Cymen-8-ol; 1-Methyl-4-(α-hydroxyisopropyl)benzene; 1-Methyl-4-(1-hydroxy-1-methylethyl)benzene; 2-(4-Methylphenyl)-2-propanol; 8-Hydroxy-p-cymene; p-Cymene-8-ol; para-Cymen-8-ol; p-Cymen-α-ol; p-Cymenol-8; p-cymenol; Cymen-8-ol; α,α,4-Trimethylbenzyl alcohol; α-4-Trimethyl-benzenemethanol; ρ-Cymene-8-ol; cimen-8-ol; Benzenemethanol,a`,a`,4-trimethyl-
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Information on this page:
Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
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Normal alkane RI, non-polar column, temperature ramp

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5 MS	ZB-5	ZB-5	DB-5 MS	DB-1
Column length (m)	30.	30.	30.	25.	60.
Carrier gas	Helium	Nitrogen	Nitrogen	Helium	Nitrogen
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.30	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	50.	40.	40.	50.	60.
T_end (C)	250.	200.	200.	240.	250.
Heat rate (K/min)	7.	5.	5.	3.	5.
Initial hold (min)	1.	5.	5.
Final hold (min)	5.		5.
I	1184.	1172.	1173.	1182.	1160.
Reference	Zouari, Ayadi, et al., 2012	Vazques, Aimar, et al., 2011	Vazquez, Demmel, et al., 2011	Chalchat, Figueredo, et al., 2010	Meshkatalsadat, Safaei-Ghomi. J., et al., 2010
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5 MS	HP-5 MS	SLB-5 MS	DB-5	SE-54
Column length (m)	30.	30.	10.	30.	30.
Carrier gas	Helium	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.10	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.10	0.25	0.25
T_start (C)	70.	70.	50.	40.	60.
T_end (C)	290.	290.	250.	250.	260.
Heat rate (K/min)	5.	5.	10.	10.	2.
Initial hold (min)				1.	5.
Final hold (min)	10.	10.		3.	999.
I	1189.	1189.	1188.	1183.	1182.
Reference	Radulovic, Blagojevic, et al., 2010	Radulovic, Dordevic, et al., 2010	Scandinaro, Tranchida, et al., 2010	Yang, Zhang, et al., 2010	Dayisoylu and Alma, 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-5	DB-5	HP-5	DB-5	HP-5MS
Column length (m)	60.	30.	25.	30.	30.
Carrier gas	Nitrogen	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.35	0.25	0.20	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.33	0.25	0.25
T_start (C)	60.	50.	60.	45.	50.
T_end (C)	230.	250.	240.	250.	240.
Heat rate (K/min)	4.	5.	3.	3.	5.
Initial hold (min)		2.		3.
Final hold (min)	40.		7.	5.
I	1189.	1183.	1182.	1190.	1183.
Reference	Gauvin-Bialecki and Marodon, 2009	Ho, Wang, et al., 2009	Maridass, 2009	Porto, Decorti, et al., 2009	Wannes, Mhamdi, et al., 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Ultra 2	DB-5	SLB-5 MS	DB-5 MS	HP-5 MS
Column length (m)	50.	30.	30.	30.	30.
Carrier gas	Helium	Nitrogen	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.20	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.11	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	50.	50.	50.
T_end (C)	230.	240.	250.	300.	240.
Heat rate (K/min)	2.	3.	3.	5.	3.
Initial hold (min)	5.	1.	2.	5.
Final hold (min)	30.	9.	10.	5.
I	1184.	1191.	1187.	1183.	1184.
Reference	Byun and Shin, 2008	Jardin, Jham, et al., 2008	Lo Presti, Sciarrone, et al., 2008	Noudogbessi, Yedomonhan, et al., 2008	Sarikurkcu, Tepe, et al., 2008
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5 MS	HP-5 MS	HP-5	DB-5	DB-5
Column length (m)	30.	30.	30.	60.	30.
Carrier gas	Helium	Helium	N2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	50.	50.	40.	60.
T_end (C)	270.	230.	240.	220.	210.
Heat rate (K/min)	3.	3.	5.	3.	30.
Initial hold (min)		10.	1.		3.
Final hold (min)		10.	4.
I	1193.	1183.	1183.	1199.	1176.
Reference	Victorio, Alviano, et al., 2008	Adams, Beauchamp, et al., 2007	Cheraif, Ben Jannet, et al., 2007	Chyau, Tsai, et al., 2007	Ghasemi, Yamini, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	Methyl Silicone	DB-1	SPB-1	DB-5
Column length (m)	25.	50.	50.	30.	30.
Carrier gas	H2	Helium	He	He	He
Substrate
Column diameter (mm)	0.2	0.25	0.25	0.2	0.25
Phase thickness (μm)	0.33		0.25	0.2	0.25
T_start (C)	60.	50.	95.	70.	50.
T_end (C)	240.	240.	240.	220.	240.
Heat rate (K/min)	3.	3.	4.	3.	4.
Initial hold (min)
Final hold (min)				15.
I	1187.	1180.	1179.	1159.	1182.
Reference	Oliveira, Leitão, et al., 2007	Ozcan and Chalchat, 2007	Pala-Paul, Brophy, et al., 2007	Pinto, Salgueiro, et al., 2007	Sefidkon, Abbasi, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5 MS	HP-5MS	HP-5 MS	HP-5MS	HP-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	He	Helium	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	40.	50.
T_end (C)	280.	280.	280.	250.	280.
Heat rate (K/min)	3.	3.	3.	3.	9.
Initial hold (min)				5.	3.
Final hold (min)				10.	3.
I	1183.	1144.	1183.	1229.	1184.
Reference	Tsokou, Georgopoulos, et al., 2007	Tzakou, Bazos, et al., 2007	Vagionas, Graikou, et al., 2007	Vichi, Riu-Aumatell, et al., 2007	Abdelwahed, Hayder, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	AT-5	SPB-1	HP-5	HP-1
Column length (m)	30.	60.	30.	30.	50.
Carrier gas	N2	He	Helium	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.20	0.32	0.2
Phase thickness (μm)	0.25	0.25	0.20	0.25	0.33
T_start (C)	50.	60.	70.	60.	60.
T_end (C)	280.	200.	220.	246.	250.
Heat rate (K/min)	9.	4.	3.	3.	2.
Initial hold (min)	3.
Final hold (min)	3.	20.	15.		40.
I	1188.	1184.	1158.	1183.	1157.
Reference	Abdelwahed, Hayder, et al., 2006	Borges, Rojas, et al., 2006	Cavaleiro, Pinto, et al., 2006	Coronel, Cerda-Garcia-Rojas, et al., 2006	Filippi, Lanfranchi, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-5	DB-1	DB-5	CP Sil 5 CB
Column length (m)	60.	30.	60.	30.	30.
Carrier gas	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	40.
T_end (C)	240.	240.	240.	240.	220.
Heat rate (K/min)	5.	5.	5.	5.	3.
Initial hold (min)	2.	2.	2.	2.
Final hold (min)					3.
I	1167.	1183.	1167.	1183.	1183.
Reference	Gohari, Hadjiakhoondi, et al., 2006	Gohari, Hadjiakhoondi, et al., 2006	Gohari A.R., Hadjiakhoondi A., et al., 2006	Gohari A.R., Hadjiakhoondi A., et al., 2006	Hymete, Rohloff, 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 MS	HP-5	BP-1	DB-5
Column length (m)	30.	30.	30.	25.	30.
Carrier gas	Helium	Nitrogen	N2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.3	0.25
Phase thickness (μm)	0.25	0.25	0.52		0.25
T_start (C)	60.	50.	50.	70.	60.
T_end (C)	260.	280.	280.	220.	220.
Heat rate (K/min)	3.	5.	5.	4.	4.
Initial hold (min)				2.	5.
Final hold (min)		5.	5.	10.
I	1183.	1184.	1184.	1167.	1185.
Reference	Javidnia, Miri, et al., 2006	Marzouk, Mansour, et al., 2006	Marzouk, Neffati, et al., 2006	Moody, Gundidza, et al., 2006	Morteza-Semnani K., Saeedi M., et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-5	DB-5	DB-5	ZB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	Hydrogen	Hydrogen	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	70.	70.	40.	40.
T_end (C)	250.	280.	280.	300.	240.
Heat rate (K/min)	4.	4.	4.	2.	4.
Initial hold (min)	2.	4.	4.
Final hold (min)	20.
I	1183.	1183.	1183.	1192.	1181.
Reference	Pino, Marquez, et al., 2006	Pino, Marbot, et al., 2006	Pino, Marbot, et al., 2006	Sari M., Biondi D.M., et al., 2006	Sefidkon and Jamzad, 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	SPB-5	DB-1	HP-5	HP-5
Column length (m)	60.		50.	30.	25.
Carrier gas	He	He	N2	He	He
Substrate
Column diameter (mm)	0.25		0.25	0.25	0.2
Phase thickness (μm)			0.25	0.25	0.33
T_start (C)	40.	50.	90.	60.	60.
T_end (C)	250.	250.	240.	250.	240.
Heat rate (K/min)	4.	5.	4.	10.	3.
Initial hold (min)		3.		2.
Final hold (min)		15.		10.	7.
I	1161.	1183.	1163.	1193.	1185.
Reference	Sefidkon, Jamzad, et al., 2006	Stojanovic, Palic, et al., 2006	Velasco-Negueruela, Pérez-Alonso, et al., 2006	Wang, Yang, et al., 2006	Duarte, Figueira, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	HP-5	DB-5	DB-5	HP-5
Column length (m)	25.	25.	30.	30.	30.
Carrier gas	He	H2	He		He
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.25	0.25
Phase thickness (μm)		0.52		0.25	0.25
T_start (C)	50.	40.	60.	35.	70.
T_end (C)	250.	240.	240.	280.	240.
Heat rate (K/min)	3.	4.	3.	4.	5.
Initial hold (min)	3.			2.
Final hold (min)	10.
I	1189.	1184.	1181.	1193.	1188.
Reference	Ghasemi Y., Faridi P., et al., 2005	Jovanovic, Kitic, et al., 2005	Khayyat and Karimi, 2005	Kowalski and Wolski, 2005	Oyedeji, Yani, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	CP Sil 5 CB	HP-5MS	DB-5	HP-5MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas		He	He	He	He
Substrate
Column diameter (mm)	0.2	0.25	0.25	0.25	0.25
Phase thickness (μm)		0.25	0.25		0.25
T_start (C)	60.	40.	60.	40.	60.
T_end (C)	280.	220.	275.	240.	280.
Heat rate (K/min)	3.	4.	4.	4.	3.
Initial hold (min)		1.
Final hold (min)
I	1183.	1183.	1188.	1181.	1187.
Reference	Petrakis, Roussis, et al., 2005	Rohloff and Bones, 2005	Sajjadi and Ghannadi, 2005	Sefidkon and Jamzad, 2005	Slavkovska, Couladis, 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	HP-5MS	DB-1	CP Sil 5 CB	BP-1
Column length (m)	30.	30.	50.	30.	50.
Carrier gas		He	N2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	60.	90.	50.	60.
T_end (C)	210.	280.	240.	200.	220.
Heat rate (K/min)	2.	3.	4.	5.	2.
Initial hold (min)	2.
Final hold (min)	33.				20.
I	1187.	1156.	1163.	1173.	1158.
Reference	Stevanovic, Garneau, et al., 2005	Tzakou, Bazos, et al., 2005	Velasco-Negueruela, Pérez-Alonso, et al., 2005	Agnaniet, Menut, et al., 2004	Blanc, Muselli, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-1	SPB-5	ZB-5	DB-5	DB-1
Column length (m)	60.	60.	60.	60.	50.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.22	0.32	0.25	0.25	0.22
Phase thickness (μm)	0.25	1.	0.25	0.25	0.25
T_start (C)	60.	60.	40.	40.	70.
T_end (C)	230.	200.	260.	280.	220.
Heat rate (K/min)	2.	4.	6.	4.	4.
Initial hold (min)			4.6	4.
Final hold (min)	45.	30.	1.
I	1160.	1186.	1197.	1182.	1170.
Reference	Cavalli, Tomi, et al., 2004	Gauvin, Ravaomanarivo, et al., 2004	Jürgens and Dötterl, 2004	Kalvandi, Sefidkon, et al., 2004	Palá-Paúl, García-Jiménez, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	NB-30	DB-5	HP-5	DB-5
Column length (m)	50.	50.	30.	25.	30.
Carrier gas	N2	He		N2	He
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.2	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.5	0.25
T_start (C)	95.	50.	50.	30.	60.
T_end (C)	240.	250.	250.	280.	240.
Heat rate (K/min)	4.	2.	3.	3.	3.
Initial hold (min)			5.
Final hold (min)
I	1167.	1162.	1183.	1190.	1183.
Reference	Palá-Paúl, Velasco-Negueruela, et al., 2004	Raal, Arak, et al., 2004	Sefidkon, Jamzad, et al., 2004	Shafi, Nambiar, et al., 2004	Tellez, Khan, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	BPX-5	HP-5MS	DB-1	RSL-200
Column length (m)	60.	25.	30.	30.	30.
Carrier gas	N2	He	He	N2	H2
Substrate
Column diameter (mm)	0.25	0.22	0.25	0.25	0.32
Phase thickness (μm)	0.25	1.	0.25	0.25	0.25
T_start (C)	80.	60.	60.	50.	40.
T_end (C)	210.	250.	280.	200.	280.
Heat rate (K/min)	3.	3.	3.	5.	6.
Initial hold (min)		5.			5.
Final hold (min)	15.	10.			5.
I	1163.	1211.	1183.	1147.	1167.
Reference	Ueno, Masuda, et al., 2004	Vilaseca, Guy, et al., 2004	Couladis, Özcan, et al., 2003	Fekam Boyom, Ngouana, et al., 2003	Jirovetz, Buchbauer, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP Sil 5 CB	DB-5	HP-5	DB-5	NB-30
Column length (m)	25.	50.	30.	30.	50.
Carrier gas	He	He	Helium	H2	He
Substrate
Column diameter (mm)	0.25	0.2	0.32	0.25	0.2
Phase thickness (μm)	0.25	0.25		0.25	0.5
T_start (C)	35.	50.	70.	60.	50.
T_end (C)	280.	220.	210.	280.	250.
Heat rate (K/min)	5.	3.	2.	4.	2.
Initial hold (min)	2.5	2.		10.
Final hold (min)			60.	40.
I	1158.	1190.	1185.	1183.	1162.
Reference	Kanjilal, Kotoky, et al., 2003	Masotti, Juteau, et al., 2003	Mookdasanit, Tamura, et al., 2003	Pino, Marbot, et al., 2003	Raal, Arak, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	Cross-Linked Methylsilicone	OV-101	DB-5	HP-1
Column length (m)	30.	25.	25.	30.	30.
Carrier gas	He	He		He	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
T_start (C)	60.	70.	50.	60.	70.
T_end (C)	280.	250.	200.	280.	220.
Heat rate (K/min)	4.	4.	5.	3.	3.
Initial hold (min)
Final hold (min)				30.	15.
I	1184.	1163.	1174.	1175.	1158.
Reference	Sajjadi and Mehregan, 2003	Velasco-Negueruela, Pérez-Alonso, et al., 2003	Boyom, Keumedjio, et al., 2002	Caredda, Marongiu, et al., 2002	Cavaleiro, Salgueiro, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	RSL-200	CP Sil 8 CB	DB-5
Column length (m)	30.	30.	30.	30.	25.
Carrier gas	N2	He	H2	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.23
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.15
T_start (C)	50.	60.	40.	50.	50.
T_end (C)	250.	240.	280.	220.	250.
Heat rate (K/min)	4.	3.	6.	3.	3.
Initial hold (min)			5.	2.
Final hold (min)			5.
I	1183.	1185.	1166.	1180.	1180.
Reference	Farah, Fechtal, et al., 2002	Flamini, Ertugrul, et al., 2002	Jirovetz, Buchbauer, et al., 2002	Juteau, Masotti, et al., 2002	Mahmout, Bessière, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5MS	SPB-5	DB-5	DB-1
Column length (m)	30.	30.	30.	25.	60.
Carrier gas	He	He	Helium	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.2	0.25
Phase thickness (μm)	0.25	0.25	0.25		0.25
T_start (C)	60.	60.	60.	60.	40.
T_end (C)	240.	240.	250.	220.	280.
Heat rate (K/min)	3.	3.	4.	3.	4.
Initial hold (min)			2.		5.
Final hold (min)			20.
I	1185.	1184.	1183.	1186.	1156.
Reference	Maia, da Silva, et al., 2002	Maia, Zoghbi, et al., 2002	Pino, Marbot, et al., 2002	Schwob, Bessière, et al., 2002	Sefidkon, Jalili, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-1	DB-5	CBP-1	DB-1
Column length (m)	30.	50.	30.	25.	30.
Carrier gas	He	N2	He	Nitrogen	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	50.	80.
T_end (C)	240.	240.	240.	210.	225.
Heat rate (K/min)	3.	3.	3.	3.	4.
Initial hold (min)				2.
Final hold (min)
I	1184.	1158.	1185.	1167.	1159.
Reference	Tellez, Khan, et al., 2002	Velasco-Negueruela, Pérez-Alonso, et al., 2002	Zoghbi, Andrade, et al., 2002	Ly, Yamauchi, et al., 2001	Palá-Paúl, Pérez-Alonso, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	PTE-5	RSL-200	DB-5	OV-101	RTX-1
Column length (m)	60.	60.	30.	50.	30.
Carrier gas	H2	H2	He	Nitrogen	N2
Substrate
Column diameter (mm)	0.32	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.3	0.25	0.25		0.25
T_start (C)	60.	40.	60.	40.	60.
T_end (C)	285.	250.	240.	200.	300.
Heat rate (K/min)	4.3	6.	3.	2.	4.
Initial hold (min)				10.
Final hold (min)
I	1183.	1168.	1188.	1165.	1162.
Reference	Stojanovic, Palic, et al., 2001	Jirovetz, Puschmann, et al., 2000	Maia, Zoghbi, et al., 2000	Tamura, Boonbumrung, et al., 2000	Kalemba, 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-5	OV-101	DB-5MS	SPB-5
Column length (m)	50.	30.	25.	30.	50.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.20	0.25	0.32
Phase thickness (μm)	0.25	0.25		0.25	0.25
T_start (C)	70.	60.	80.	60.	60.
T_end (C)	240.	240.	240.	240.	240.
Heat rate (K/min)	4.	3.	6.	3.	3.
Initial hold (min)
Final hold (min)					20.
I	1160.	1183.	1165.	1183.	1184.
Reference	Palá-Paúl, Pérez-Alonso, et al., 1999	Tellez, Canel, et al., 1999	Zenkevich, Kosman, et al., 1999	Zoghbi, Andrade, et al., 1999	Doneanu and Anitescu, 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-1	DB-5	SE-54	OV-101
Column length (m)	30.		30.	30.	50.
Carrier gas	He		Helium	Hydrogen	N2
Substrate
Column diameter (mm)	0.25		0.25	0.25	0.25
Phase thickness (μm)	0.25		0.25	0.25
T_start (C)	60.	80.	60.	60.	80.
T_end (C)	240.	220.	240.	250.	200.
Heat rate (K/min)	3.	6.	3.	2.	2.
Initial hold (min)				5.
Final hold (min)				2.
I	1183.	1148.	1183.	1183.	1165.
Reference	Maia, Zohhbi, et al., 1998	Salgueiro, Vila, et al., 1997	Tellez, Estell, et al., 1997	Kollmannsberger, Nitz, et al., 1992	Yang and Sugisawa, 1990
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary
Active phase	OV-101	DB-5	SE-30
Column length (m)	50.	30.	100.
Carrier gas	N2	Hydrogen	N2
Substrate
Column diameter (mm)	0.25	0.35	0.25
Phase thickness (μm)		1.0
T_start (C)	80.	45.	45.
T_end (C)	200.	220.	250.
Heat rate (K/min)	2.	2.	4.
Initial hold (min)			1.
Final hold (min)
I	1168.	1194.	1169.
Reference	Yang and Sugisawa, 1990	Georgilopoulos and Gallois, 1988	Peacock and Kuneman, 1985
Comment	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes

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Pino, Marbot, et al., 2006
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Sefidkon, Jamzad, et al., 2006
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Wang, Yang, et al., 2006
Wang, Q.; Yang, Y.; Zhao, X.; Zhu, B.; Nan, P.; Zhao, J.; Wang, L.; Chen, F.; Liu, Z.; Zhong, Y., Chemical variation in the essential oil of Ephedra sinica from Northeastern China, Food Chem., 2006, 98, 1, 52-58, https://doi.org/10.1016/j.foodchem.2005.04.033 . [all data]

Duarte, Figueira, et al., 2005
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Ghasemi Y., Faridi P., et al., 2005
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Maia, da Silva, et al., 2002
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Maia, Zoghbi, et al., 2002
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Pino, Marbot, et al., 2002
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Schwob, Bessière, et al., 2002
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Tellez, Khan, et al., 2002
Tellez, M.R.; Khan, I.A.; Kobaisy, M.; Schrader, K.K.; Dayan, F.E.; Osbrink, W., Composition of the essential oil of Lepidium meyenii (Walp.), Phytochemistry, 2002, 61, 2, 149-155, https://doi.org/10.1016/S0031-9422(02)00208-X . [all data]

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Zoghbi, Andrade, et al., 2002
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Stojanovic, Palic, et al., 2001
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Jirovetz, Puschmann, et al., 2000
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Maia, Zoghbi, et al., 2000
Maia, J.G.S.; Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.L., Essential oils from Conobea scoparioides (Cham. Schltdl.) Benth., Flavour Fragr. J., 2000, 15, 6, 413-414, https://doi.org/10.1002/1099-1026(200011/12)15:6<413::AID-FFJ931>3.0.CO;2-H . [all data]

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Kalemba, 1999
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Palá-Paúl, Pérez-Alonso, et al., 1999
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Notes

Go To: Top, Normal alkane 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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