Thymol

Formula: C₁₀H₁₄O
Molecular weight: 150.2176
IUPAC Standard InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
IUPAC Standard InChIKey: MGSRCZKZVOBKFT-UHFFFAOYSA-N
CAS Registry Number: 89-83-8
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: Phenol, 5-methyl-2-(1-methylethyl)-; p-Cymen-3-ol; Thyme camphor; 2-Isopropyl-5-methylphenol; 3-Hydroxy-p-cymene; 3-Methyl-6-isopropylphenol; 5-Methyl-2-isopropylphenol; 6-Isopropyl-m-cresol; 6-Isopropyl-3-methylphenol; m-Cresol, 6-isopropyl-; p-Cymene, 3-hydroxy-; Phenol, 2-isopropyl-5-methyl-; Thymic acid; 1-Hydroxy-5-methyl-2-isopropylbenzene; 1-Methyl-3-hydroxy-4-isopropylbenzene; 3-p-Cymenol; 3-Hydroxy-1-methyl-4-isopropylbenzene; 5-Methyl-2-isopropyl-1-phenol; 5-Methyl-2-(1-methylethyl)phenol; Isopropyl-m-cresol; m-Thymol; 2-Hydroxy-1-isopropyl-4-methylbenzene; NSC 11215; 2-Isopropyl-5-methylphenol (thymol); Isopropyl cresol
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Normal alkane RI, non-polar column, temperature ramp

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5 MS	RTX-1	Mega-5	Optima-5 MS	HP-5 MS
Column length (m)	30.	60.	25.	30.	30.
Carrier gas	Helium	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.22	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	50.	35.	50.
T_end (C)	230.	230.	220.	250.	250.
Heat rate (K/min)	3.	2.	3.	10.	7.
Initial hold (min)			1.	3.	1.
Final hold (min)		5.	5.	5.	5.
I	1298.	1267.	1293.	1292.	1302.
Reference	Pripdeevech and Saansoomchai, 2013	Bendiabdellah, El Amine Dib, et al., 2012	Dell'Agli, Sanna, et al., 2012	Goeminne, Vandendriessche, et al., 2012	Zouari, Ayadi, et al., 2012
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	DB-1	DB-1	CP-Sil 5 CB
Column length (m)	25.	30.	30.	50.	30.
Carrier gas	Helium	Helium	Helium	Helium	Nitrogen
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.25
Phase thickness (μm)	0.15	0.25	0.25	0.25	0.26
T_start (C)	50.	40.	40.	60.	45.
T_end (C)	220.	250.	210.	250.	280.
Heat rate (K/min)		3.	5.	8.	3.
Initial hold (min)		5.
Final hold (min)		20.			22.
I	1290.	1295.	1293.	1278.	1273.
Reference	Ameen, Usman, et al., 2011	Cao, Li, et al., 2011	Fathi, Sahari, et al., 2011	Misharina T., 2011	Mothana, Hasson, et al., 2011
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-5	DB-1	HP-5 MS	HP-5 MS
Column length (m)	50.	30.	30.	30.	30.
Carrier gas	Nitrogen	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.32	0.25	0.25	0.25	0.25
T_start (C)	60.	50.	50.	70.	70.
T_end (C)	220.	300.	265.	290.	290.
Heat rate (K/min)	5.	50.	2.5	5.	5.
Initial hold (min)	3.	5.	1.
Final hold (min)	5.	5.	20.		10.
I	1289.	1291.	1271.	1295.	1294.
Reference	Salimi, Shafaghat, et al., 2011	Bi Kouame, Bedi, et al., 2010	Hajimahdipoor, Samadi, et al., 2010	Lazarevic, Radulovic, et al., 2010	Radulovic, Blagojevic, 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	SLB-5 MS	SLB-5 MS	CP Sil 5 CB	DB-5
Column length (m)	30.	10.	10.	25.	30.
Carrier gas	Helium	Helium	Helium		Helium
Substrate
Column diameter (mm)	0.25	0.10	0.10	0.25	0.25
Phase thickness (μm)	0.25	0.10	0.10	0.15	0.25
T_start (C)	70.	50.	50.	50.	60.
T_end (C)	290.	250.	250.	230.	240.
Heat rate (K/min)	5.	10.	10.	3.	3.
Initial hold (min)
Final hold (min)	10.
I	1281.	1293.	1295.	1290.	1290.
Reference	Radulovic, Dordevic, et al., 2010	Scandinaro, Tranchida, et al., 2010	Scandinaro, Tranchida, et al., 2010	Usman, Zubair, et al., 2010	Alim, Goze, et al., 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-5	HP-5	RTX-1	RTX-1	HP-5 MS
Column length (m)	60.	25.	60.	60.	30.
Carrier gas	Nitrogen	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.35	0.20	0.22	0.22	0.25
Phase thickness (μm)	0.25	0.33	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	70.
T_end (C)	230.	240.	230.	230.	290.
Heat rate (K/min)	4.	3.	2.	2.	5.
Initial hold (min)
Final hold (min)	40.	7.	30.	30.	10.
I	1293.	1294.	1267.	1272.	1294.
Reference	Gauvin-Bialecki and Marodon, 2009	Maridass, 2009	Museli, Pau, et al., 2009	Museli, Pau, et al., 2009	Radulovic, Blagojevic, et al., 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-1 MS	HP-5 MS	Ultra 2	ZB-1
Column length (m)	30.	30.	30.	50.	30.
Carrier gas	Nitrogen	Helium	Helium	Helium	Nitrogen
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.20	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.11	0.25
T_start (C)	40.	40.	60.	60.	45.
T_end (C)	230.	250.	325.	230.	230.
Heat rate (K/min)	2.	6.	10.	2.	3.
Initial hold (min)		1.	6.	5.
Final hold (min)		4.	10.	30.
I	1290.	1273.	1294.	1294.	1267.
Reference	Scrivanti, Anton, et al., 2009	Seo, Kim, et al., 2009	Zaibunnisa, Norashikin, et al., 2009	Byun and Shin, 2008	Mierendorff, Stahl-Biskup, et al., 2008
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-1	HP-5	HP-5 MS	HP-5MS	HP-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	Helium	Helium	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.32	0.25	0.25	0.25
T_start (C)	65.	60.	50.	60.	50.
T_end (C)	260.	250.	230.	280.	240.
Heat rate (K/min)	6.	5.	3.	3.	5.
Initial hold (min)		30.	10.		1.
Final hold (min)			10.		4.
I	1308.	1279.	1290.	1294.	1290.
Reference	Wang, Yi, et al., 2008	Yassa and Akhani, 2008	Adams, Beauchamp, et al., 2007	Basta, Tzakou, et al., 2007	Cheraif, Ben Jannet, et al., 2007
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	Col-Elite 5MS	HP-1
Column length (m)	30.	30.	60.	30.	30.
Carrier gas	He	He	Nitrogen	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)	35.	60.	60.	30.	60.
T_end (C)	220.	250.	250.	246.	240.
Heat rate (K/min)	3.	2.	4.	3.	2.
Initial hold (min)		8.	1.
Final hold (min)	40.	15.	10.		20.
I	1294.	1288.	1269.	1283.	1265.
Reference	El-Ghorab A., El-Massry K.F., et al., 2007	Ferhat, Tigrine-Kordjani, et al., 2007	Ghasempour, Shirinpour, et al., 2007	Gudaityte and Venskutonis R.P., 2007	Hachicha, Skanji, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-5 MS	ZB-5	HP-5	DB-1	HP-5
Column length (m)	30.	30.	25.	60.	30.
Carrier gas	He		H2	Nitrogen	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.33	0.25	0.25
T_start (C)	45.	60.	60.	60.	40.
T_end (C)	210.	220.	240.	250.	260.
Heat rate (K/min)	3.	4.	3.	4.	4.
Initial hold (min)		5.		1.
Final hold (min)		20.		10.
I	1294.	1301.	1289.	1269.	1293.
Reference	Hudaib and Aburjai, 2007	Mohottalage, Tabacchi, et al., 2007	Oliveira, Leitão, et al., 2007	Reza, Ebrahim, et al., 2007	Ristic, Krivokuca-Dokic, et al., 2007
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	ZB-5	BP-1
Column length (m)	30.	30.	30.	30.	50.
Carrier gas	He	Helium	He		He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.22
Phase thickness (μm)	0.25	0.25	0.32	0.25	0.25
T_start (C)	50.	60.	60.	40.	60.
T_end (C)	240.	280.	250.	300.	220.
Heat rate (K/min)	4.	3.	5.	2.	2.
Initial hold (min)			30.
Final hold (min)					20.
I	1290.	1290.	1279.	1291.	1262.
Reference	Sefidkon, Abbasi, et al., 2007	Vagionas, Graikou, et al., 2007	Yassa and Akhani, 2007	Biondi, Sari, et al., 2006	Boti, Muselli, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	HP-5MS	HP-1	BP-1	BP-1
Column length (m)	50.	30.	50.	50.	50.
Carrier gas		He	He	He	He
Substrate
Column diameter (mm)	0.22	0.25	0.2	0.22	0.22
Phase thickness (μm)	0.25	0.25	0.5	0.25	0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	220.	280.	250.	220.	220.
Heat rate (K/min)	2.	3.	2.	2.	2.
Initial hold (min)
Final hold (min)	20.		120.	20.	20.
I	1266.	1291.	1264.	1266.	1266.
Reference	Boti, Yao, et al., 2006	Bozin, Mimicá-Dukic, et al., 2006	Castel, Fernandez, et al., 2006	Fanciullino, Tomi, et al., 2006	Fanciullino, Tomi, 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	DB-1	DB-5	DB-1	DB-5
Column length (m)	30.	60.	30.	60.	30.
Carrier gas	He	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)	50.	60.	60.	60.	60.
T_end (C)	300.	240.	240.	240.	240.
Heat rate (K/min)	5.	5.	5.	5.	5.
Initial hold (min)	5.	2.	2.	2.	2.
Final hold (min)	5.
I	1304.	1270.	1290.	1270.	1290.
Reference	Figuérédo, Cabassu, et al., 2006	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
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	DB-5	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas		Helium	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)	40.	50.	60.	60.	60.
T_end (C)	220.	250.	220.	260.	220.
Heat rate (K/min)	3.	3.	4.	4.	4.
Initial hold (min)		5.		4.	5.
Final hold (min)	3.
I	1290.	1292.	1292.	1293.	1292.
Reference	Hymete, Rohloff, et al., 2006	Mirza, Navaei, et al., 2006	Morteza-Semnani, Akbarzadeh, et al., 2006	Morteza-Semnani, Saeedi, 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	NB-30	DB-5	DB-1	DB-5	HP-5MS
Column length (m)	30.	25.	50.	30.	30.
Carrier gas	He	N2	N2	Hydrogen	He
Substrate
Column diameter (mm)	0.2	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.15	0.25	0.25	0.25
T_start (C)	50.	50.	95.	70.	60.
T_end (C)	250.	200.	240.	280.	280.
Heat rate (K/min)	2.	4.	4.	4.	3.
Initial hold (min)		3.		4.
Final hold (min)
I	1274.	1303.	1285.	1290.	1254.
Reference	Orav, Raal, et al., 2006	Ouamba, Ouabonzi, et al., 2006	Pala-Paul J., Perez-Alonso M.J., et al., 2006	Pino, Marbot, et al., 2006	Pitarokili, Tzakou, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	ZB-5	DB-5	DB-1	SPB-5	Methyl Silicone
Column length (m)	30.	30.	60.		25.
Carrier gas	He	He	Helium	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25		0.3
Phase thickness (μm)	0.25	0.25	0.25		0.15
T_start (C)	40.	40.	60.	50.	50.
T_end (C)	300.	240.	250.	250.	210.
Heat rate (K/min)	2.	4.	5.	5.	2.
Initial hold (min)				3.	5.
Final hold (min)			10.	15.
I	1291.	1290.	1263.	1290.	1314.
Reference	Sari M., Biondi D.M., et al., 2006	Sefidkon and Jamzad, 2006	Sonboli, Mirjalili, et al., 2006	Stojanovic, Palic, et al., 2006	Tonzibo, Coffy, 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	SPB-1	HP-5MS	HP-1	Methyl Silicone
Column length (m)	50.	30.	30.	50.	60.
Carrier gas	N2	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.2	0.3
Phase thickness (μm)	0.25	0.25	0.25	0.5
T_start (C)	90.	50.	60.	60.	50.
T_end (C)	240.	250.	280.	250.	240.
Heat rate (K/min)	4.	4.	3.	2.	3.
Initial hold (min)		1.
Final hold (min)		10.		60.
I	1290.	1270.	1282.	1270.	1290.
Reference	Velasco-Negueruela, Pérez-Alonso, et al., 2006	Wong, Sivasothy, et al., 2006	Basta, Tzakou, et al., 2005	Bendimerad and Bendiab, 2005	Chalchat and Özcan, 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5	RSL-200	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	He		He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.25
Phase thickness (μm)	0.25	0.25	0.25		0.25
T_start (C)	60.	50.	40.	60.	60.
T_end (C)	30.	300.	280.	240.	220.
Heat rate (K/min)	4.	5.	6.	3.	4.
Initial hold (min)	3.	5.	2.		5.
Final hold (min)	15.	5.	10.
I	1289.	1304.	1290.	1287.	1290.
Reference	Ferretti, Maggi, et al., 2005	Figuérédo, Cabassu, et al., 2005	Jirovetz, Buchbauer, et al., 2005	Khayyat and Karimi, 2005	Morteza-Semnani, Akbarzadeh, 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	CP Sil 5 CB	DB-1	DB-5
Column length (m)	30.	30.	25.	60.	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	0.15	0.25	0.25
T_start (C)	60.	50.	50.	50.	60.
T_end (C)	220.	250.	230.	250.	220.
Heat rate (K/min)	4.	3.	3.	4.	3.
Initial hold (min)	4.	5.			4.
Final hold (min)
I	1292.	1288.	1268.	1267.	1290.
Reference	Morteza-Semnani and Saeedi, 2005	Najafpour Navaei, Mirza, et al., 2005	Ogunwande, Olawore, et al., 2005	Rasooli and Owlia, 2005	Salehi, Sefidkon, et al., 2005
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-5	HP-5MS	RTX-1
Column length (m)	60.	30.	30.	30.	60.
Carrier gas	He	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
T_start (C)	60.	40.	60.	60.	60.
T_end (C)	250.	240.	230.	280.	250.
Heat rate (K/min)	5.	4.	3.	3.	5.
Initial hold (min)
Final hold (min)	10.		20.		10.
I	1268.	1290.	1290.	1294.	1270.
Reference	Salehi, Sonboli, et al., 2005	Sefidkon and Jamzad, 2005	Skoula and Grayer, 2005	Slavkovska, Couladis, et al., 2005	Sonboli A., Fakhari A.R., et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-1	HP-5 MS	DB-5	DB-1	CP Sil 5 CB
Column length (m)	60.	30.	30.	50.	30.
Carrier gas	He	He	He		N2
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.50	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	50.
T_end (C)	25.	260.	280.	240.	200.
Heat rate (K/min)	5.	3.	3.	3.	5.
Initial hold (min)
Final hold (min)	10.	20.
I	1263.	1295.	1266.	1251.	1282.
Reference	Sonboli, Salehi, et al., 2005	Topçu, Barla, et al., 2005	Tzakou and Constantinidis, 2005	Velasco-Negueruela, Pérez-Alonso, et al., 2005	Agnaniet, Menut, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	HP-5 MS	HP-5MS	DB-5	HP-5MS
Column length (m)	50.	30.	30.	60.	30.
Carrier gas		Helium	He	He	He
Substrate
Column diameter (mm)	0.22	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.	60.
T_end (C)	220.	275.	275.	280.	280.
Heat rate (K/min)	2.	4.	4.	4.	3.
Initial hold (min)				4.
Final hold (min)	20.
I	1266.	1298.	1286.	1292.	1292.
Reference	Blanc, Muselli, et al., 2004	Ghannadi, Sajjadi, et al., 2004	Hajhashemi V., Ghannadi A., et al., 2004	Kalvandi, Sefidkon, et al., 2004	Malencic, Couladis, 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	DB-1	DB-1	DB-1	DB-1
Column length (m)	50.	60.	60.	60.	60.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.22	0.32	0.32	0.32	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	70.	35.	35.	35.	35.
T_end (C)	220.	230.	230.	230.	230.
Heat rate (K/min)	4.	2.	2.	2.	2.
Initial hold (min)		4.	4.	4.	4.
Final hold (min)		25.	25.	25.	25.
I	1278.	1267.	1268.	1269.	1275.
Reference	Palá-Paúl, García-Jiménez, et al., 2004	Park, Lee, et al., 2004	Park, Lee, et al., 2004	Park, Lee, et al., 2004	Park, Lee, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	NB-30	DB-1	DB-5	HP-5	DB-5
Column length (m)	50.	60.	30.	25.	30.
Carrier gas	He	He		H2	He
Substrate
Column diameter (mm)	0.20	0.25	0.25	0.32	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.52	0.25
T_start (C)	50.	50.	50.	40.	60.
T_end (C)	250.	250.	250.	240.	240.
Heat rate (K/min)	2.	4.	3.	4.	3.
Initial hold (min)			5.
Final hold (min)
I	1282.	1267.	1290.	1290.	1288.
Reference	Raal, Paaver, et al., 2004	Rasooli and Razzaghi Abyaneh, 2004	Sefidkon, Jamzad, et al., 2004	Simic, Sokovic, 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	BPX-5	HP-5MS	DB-5	DB-1	DB-5
Column length (m)	25.	30.	30.	60.	60.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.22	0.25	0.25	0.25	0.32
Phase thickness (μm)	1.	0.25	0.25	0.25
T_start (C)	60.	60.	60.	50.	50.
T_end (C)	250.	275.	240.	250.	200.
Heat rate (K/min)	3.	4.	4.	4.	3.
Initial hold (min)	5.
Final hold (min)	10.
I	1316.	1290.	1268.	1274.	1304.
Reference	Vilaseca, Guy, et al., 2004	Afsharypuor and Jahromy, 2003	Cabanillas, Lopez, et al., 2003	Ebrahimzadeh, Yamini, et al., 2003	Edris, Shalaby, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	RSL-200	SE-30	DB-5MS	DB-5
Column length (m)	30.	30.	12.	30.	50.
Carrier gas	N2	H2	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.22	0.25	0.2
Phase thickness (μm)	0.25	0.25	0.3	0.25	0.25
T_start (C)	50.	40.	70.	60.	50.
T_end (C)	200.	280.	220.	240.	220.
Heat rate (K/min)	5.	6.	3.	3.	3.
Initial hold (min)		5.			2.
Final hold (min)		5.
I	1256.	1284.	1260.	1292.	1286.
Reference	Fekam Boyom, Ngouana, et al., 2003	Jirovetz, Buchbauer, et al., 2003	Kambouche and El-Abed, 2003	Maia, Taveira, et al., 2003	Masotti, Juteau, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	ZB-1	HP-5	DB-1	HP-5	DB-1
Column length (m)	30.	30.	50.	30.	60.
Carrier gas	N2	Helium	N2	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)	45.	70.	95.	60.	40.
T_end (C)	230.	210.	240.	280.	220.
Heat rate (K/min)	3.	2.	4.	3.	4.
Initial hold (min)
Final hold (min)		60.
I	1267.	1293.	1285.	1272.	1278.
Reference	Mierendorff, Stahl-Biskup, et al., 2003	Mookdasanit, Tamura, et al., 2003	Perez-Alonso, Velasco-Negueruela, et al., 2003	Pitarokili, Tzakou, et al., 2003	Rasooli and Mirmostafa, 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-5	HP-5	HP-5	HP-5
Column length (m)	60.	30.	25.	25.	25.
Carrier gas	He	He	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.32	0.32
Phase thickness (μm)	0.25	0.25	0.53	0.53	0.53
T_start (C)	40.	60.	40.	40.	40.
T_end (C)	220.	240.	280.	280.	280.
Heat rate (K/min)	4.	3.	4.	4.	4.
Initial hold (min)
Final hold (min)
I	1278.	1290.	1290.	1292.	1292.
Reference	Rasooli and Mirmostafa, 2003	da Silva, Luz, et al., 2003	Velickovic, Ristic, et al., 2003	Velickovic, Ristic, et al., 2003	Velickovic, Ristic, 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	OV-101	HP-5	DB-5	HP-5
Column length (m)	25.	25.	30.	30.	30.
Carrier gas	N2		N2	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.4		0.25	0.25	0.25
T_start (C)	60.	50.	50.	60.	60.
T_end (C)	260.	200.	250.	240.	275.
Heat rate (K/min)	5.	5.	4.	3.	4.
Initial hold (min)			5.
Final hold (min)	40.
I	1276.	1268.	1290.	1292.	1291.
Reference	Azaz. D., Demirci, et al., 2002	Boyom, Keumedjio, et al., 2002	Farah, Fechtal. M., et al., 2002	Flamini, Ertugrul, et al., 2002	Ghannadi, Sajjadi, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RSL-200	CP Sil 8 CB	DB-1	DB-5	DB-5MS
Column length (m)	30.	30.	25.	30.	30.
Carrier gas	H2	He	He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.23	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.20	0.25	0.25
T_start (C)	50.	50.	50.	60.	60.
T_end (C)	280.	220.	200.	240.	240.
Heat rate (K/min)	6.	3.	3.	3.	3.
Initial hold (min)	5.	2.	3.
Final hold (min)	5.		30.
I	1288.	1304.	1328.	1292.	1293.
Reference	Jirovetz, Ngassoum, et al., 2002	Juteau, Masotti, et al., 2002	Khallouki, Younos, et al., 2002	Maia, da Silva, et al., 2002	Maia, Zoghbi, 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	HP-5	DB-1	DB-1
Column length (m)	30.	30.	30.	50.	60.
Carrier gas	He	He		N2	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.	80.	40.
T_end (C)	220.	250.	240.	225.	280.
Heat rate (K/min)	4.	4.	3.	4.	4.
Initial hold (min)	5.	10.			5.
Final hold (min)
I	1290.	1300.	1290.	1255.	1263.
Reference	Morteza-Semnani, Saeedi, et al., 2002	Norouzi-Arasi, Yavari, et al., 2002	Novak, Langbehn, et al., 2002	Palá-Paúl, Pérez-Alonso, 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-1	SPB-5	DB-1	RTX-1	BP-1
Column length (m)	50.	60.	60.	30.	50.
Carrier gas	N2	He	He	N2	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.22
Phase thickness (μm)	0.25		0.25	0.25	0.25
T_start (C)	60.	40.	40.	60.	60.
T_end (C)	240.	220.	280.	300.	230.
Heat rate (K/min)	3.	3.	4.	4.	2.
Initial hold (min)		5.	5.
Final hold (min)		15.			35.
I	1251.	1295.	1274.	1273.	1266.
Reference	Velasco-Negueruela, Pérez-Alonso, et al., 2002	Cornu, Carnat, et al., 2001	Dabiri and Sefidkon, 2001	Kalemba, Marschall, et al., 2001	Lota, de Rocca Serra, 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	OV-101	OV-101	CP Sil 5 CB	CP Sil 5 CB
Column length (m)	60.	50.	50.	25.	25.
Carrier gas	H2	N2	N2	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.3			0.4	0.4
T_start (C)	60.	80.	80.	60.	60.
T_end (C)	285.	200.	200.	260.	260.
Heat rate (K/min)	4.3	2.	2.	5.	5.
Initial hold (min)				40.	40.
Final hold (min)
I	1290.	1268.	1268.	1262.	1262.
Reference	Stojanovic, Palic, et al., 2001	Yang, 2001	Yang, 2001, 2	Baser, Özek, et al., 2000	Baser, Özek, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RSL-200	DB-5	HP-5	DB-1	OV-101
Column length (m)	60.	30.	30.	30.	50.
Carrier gas	H2	He	He	He	Nitrogen
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25
T_start (C)	40.	60.	60.	40.	40.
T_end (C)	250.	240.	275.	260.	200.
Heat rate (K/min)	6.	3.	4.	2.	2.
Initial hold (min)				5.	10.
Final hold (min)				2.
I	1271.	1295.	1299.	1272.	1269.
Reference	Jirovetz, Puschmann, et al., 2000	Maia, Zoghbi, et al., 2000	Mohagheghzadeh, Shams-Ardakani, et al., 2000	Senatore, Napolitano, et al., 2000	Tamura, Boonbumrung, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	OV-101	RTX-1	OV-101	DB-5
Column length (m)	25.	52.	30.	50.	30.
Carrier gas	N2	Helium	N2	N2	He
Substrate
Column diameter (mm)	0.25	0.26	0.25	0.2	0.25
Phase thickness (μm)		0.13	0.25
T_start (C)	50.	50.	60.	80.	40.
T_end (C)	200.	220.	300.	200.	230.
Heat rate (K/min)	5.	3.	4.	1.	4.
Initial hold (min)		0.			1.
Final hold (min)		0.		20.
I	1284.	1274.	1274.	1286.	1293.
Reference	Ayedoun, Adéoti, et al., 1999	Dzumayev, Tkachenko, et al., 1999	Kalemba, 1999	Menon, Chacko, et al., 1999	Mockute and Bernotiene, 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-1	CP Sil 5 CB	OV-101	SPB-5
Column length (m)	60.	60.	25.	25.	50.
Carrier gas	He	He	N2	He	He
Substrate
Column diameter (mm)	0.25	0.32		0.20	0.32
Phase thickness (μm)	0.25		0.39		0.25
T_start (C)	40.	60.	60.	80.	60.
T_end (C)	280.	230.	220.	240.	240.
Heat rate (K/min)	4.	3.	5.	6.	3.
Initial hold (min)	5.
Final hold (min)		5.			20.
I	1271.	1273.	1272.	1284.	1289.
Reference	Sefidkon, Dabiri, et al., 1999	Shafiee, Javidnia, et al., 1999	Weyerstahl, Marschall, et al., 1999	Zenkevich, Kosman, 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	SE-30	CBP-1	OV-101	CP Sil 5 CB	DB-1
Column length (m)	25.	30.	25.	25.
Carrier gas	He	He		He
Substrate
Column diameter (mm)	0.2	0.25	0.32	0.25
Phase thickness (μm)				0.25
T_start (C)	60.	60.	50.	60.	80.
T_end (C)	180.	240.	200.	300.	220.
Heat rate (K/min)	3.	4.	5.	6.	6.
Initial hold (min)	10.
Final hold (min)
I	1268.	1270.	1284.	1290.	1275.
Reference	Jantan, Ahmad, et al., 1998	Lamarque, Maestri, et al., 1998	Zollo, Biyiti, et al., 1998	Bos, Woerdenbag, et al., 1997	Salgueiro, Vila, et al., 1997
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-1	OV-101
Column length (m)	30.	52.	60.	60.	50.
Carrier gas		He	He	He
Substrate
Column diameter (mm)	0.25	0.26	0.25	0.25	0.22
Phase thickness (μm)	0.25		0.25	0.25
T_start (C)	60.	50.	70.	70.	80.
T_end (C)	300.	220.	270.	270.	200.
Heat rate (K/min)	4.	3.	2.5	2.5	2.
Initial hold (min)	2.		5.	5.
Final hold (min)	5.
I	1288.0	1269.	1286.	1286.	1287.
Reference	Gawdzik, Mardarowicz, et al., 1996	Dzumayev, Tsibulskaya, et al., 1995	Tirado, Stashenko, et al., 1995	Tirado, Stashenko, et al., 1995	Egolf and Jurs, 1993
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Methyl Silicone	OV-101	OV-101	BP-1	OV-101
Column length (m)	25.	50.	50.	25.	50.
Carrier gas					N2
Substrate
Column diameter (mm)	0.50	0.25	0.25	0.33	0.25
Phase thickness (μm)
T_start (C)	60.	80.	80.	45.	80.
T_end (C)	220.	200.	200.	180.	200.
Heat rate (K/min)	5.	2.	2.	3.	2.
Initial hold (min)				3.
Final hold (min)
I	1268.	1267.	1268.	1267.	1265.
Reference	Mallavarapu, Ramesh, et al., 1993	Tamura, Yang, et al., 1993	Tamura, Yang, et al., 1993	Wyllie, Brophy, et al., 1990	Yang and Sugisawa, 1990
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	OV-101	OV-101	OV-101	OV-101
Column length (m)	50.	50.	50.	50.	50.
Carrier gas	N2	N2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.30	0.30
Phase thickness (μm)
T_start (C)	80.	80.	80.	40.	40.
T_end (C)	200.	200.	200.	230.	230.
Heat rate (K/min)	2.	2.	2.	3.5	3.5
Initial hold (min)				5.	5.
Final hold (min)
I	1268.	1265.	1265.	1268.	1268.
Reference	Yang and Sugisawa, 1990	Sugisawa, Yang, et al., 1989	Sugisawa, Yang, et al., 1989	Nykanen, 1986	Nykanen, 1986
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary
Active phase	DB-1	OV-101
Column length (m)	50.	50.
Carrier gas
Substrate
Column diameter (mm)	0.32	0.32
Phase thickness (μm)
T_start (C)	50.	50.
T_end (C)	250.	225.
Heat rate (K/min)	3.	4.
Initial hold (min)		0.1
Final hold (min)		30.
I	1278.	1275.
Reference	Habu, Flath, et al., 1985	Stern, Flath, et al., 1985
Comment	MSDC-RI	MSDC-RI

References

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

Pripdeevech and Saansoomchai, 2013
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Bi Kouame, Bedi, et al., 2010
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Mockute, D.; Bernotiene, G., The main citral-geraniol and carvacrol chemotypes of the essential oil of Thymus pulegioides L. growing wild in Vilnius district (Lithuania), J. Agric. Food Chem., 1999, 47, 9, 3787-3790, https://doi.org/10.1021/jf980987c . [all data]

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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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