Phenol, 2-methyl-5-(1-methylethyl)-

Formula: C₁₀H₁₄O
Molecular weight: 150.2176
IUPAC Standard InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
IUPAC Standard InChIKey: RECUKUPTGUEGMW-UHFFFAOYSA-N
CAS Registry Number: 499-75-2
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: Carvacrol; p-Cymen-2-ol; Antioxine; Isothymol; Karvakrol; 2-Hydroxy-p-cymene; 2-Methyl-5-isopropylphenol; 5-Isopropyl-2-methylphenol; 2-Methyl-5-(1-methylethyl)phenol; o-Cresol, 5-isopropyl-; o-Thymol; p-Cymene, 2-hydroxy-; Isopropyl-o-cresol; Phenol, 5-isopropyl-2-methyl-; 1-Hydroxy-2-methyl-5-isopropylbenzene; 2-p-Cymenol; 5-Isopropyl-o-cresol; 3-Isopropyl-6-methylphenol; Phenol, 3-isopropyl-6-methyl-; Oxycymol; 6-methyl-3-isopropylphenol; NSC 6188
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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-1	RTX-1	Mega-5	Polydimethyl siloxane with 5 % Ph	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
Phase thickness (μm)	0.25	0.25	0.25		0.25
T_start (C)	60.	60.	50.	80.	50.
T_end (C)	240.	230.	220.	200.	250.
Heat rate (K/min)	3.	2.	3.	5.	7.
Initial hold (min)			1.		1.
Final hold (min)		5.	5.	25.	5.
I	1300.	1278.	1300.	1290.	1312.
Reference	Alizadeh and Shaabani, 2012	Bendiabdellah, El Amine Dib, et al., 2012	Dell'Agli, Sanna, et al., 2012	Priya, Prathapan, 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	CP-Sil 5 CB	DB-5 MS
Column length (m)	25.	30.	30.	30.	25.
Carrier gas	Helium	Helium	Helium	Nitrogen	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.30
Phase thickness (μm)	0.15	0.25	0.25	0.26	0.25
T_start (C)	50.	40.	40.	45.	50.
T_end (C)	220.	250.	210.	280.	240.
Heat rate (K/min)		3.	5.	3.	3.
Initial hold (min)		5.
Final hold (min)		20.		22.
I	1299.	1301.	1301.	1284.	1299.
Reference	Ameen, Usman, et al., 2011	Cao, Li, et al., 2011	Fathi, Sahari, et al., 2011	Mothana, Hasson, et al., 2011	Chalchat, Figueredo, et al., 2010
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5 MS	DB-1	DB-5	DB-5	HP-5 MS
Column length (m)	25.	30.	30.	30.	30.
Carrier gas	Helium	Helium	Helium	Nitrogen	Helium
Substrate
Column diameter (mm)	0.30	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.	50.	50.	60.	70.
T_end (C)	240.	265.	250.	240.	290.
Heat rate (K/min)	3.	2.5	2.	3.	5.
Initial hold (min)		1.		1.
Final hold (min)		20.		9.
I	1299.	1289.	1299.	1287.	1305.
Reference	Chalchat, Figueredo, et al., 2010	Hajimahdipoor, Samadi, et al., 2010	Ho, Wang, et al., 2010	Jardim, Jham, et al., 2010	Lazarevic, Radulovic, 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	HP-5 MS	HP-5 MS	CP Sil 5 CB	DB-1
Column length (m)	30.	30.	30.	25.	30.
Carrier gas	Helium	Helium	Helium		Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.15	0.25
T_start (C)	50.	70.	70.	50.	50.
T_end (C)	240.	290.	290.	230.	220.
Heat rate (K/min)	3.	5.	5.	3.	4.
Initial hold (min)	5.				2.
Final hold (min)		10.	10.		2.
I	1327.	1304.	1290.	1298.	1269.
Reference	Monsef-Esfahani, Miri, et al., 2010	Radulovic, Blagojevic, et al., 2010	Radulovic, Dordevic, et al., 2010	Usman, Zubair, et al., 2010	Xu, Tang, et al., 2010
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	DB-5	HP-5	DB-1 MS
Column length (m)	30.	30.	30.	25.	30.
Carrier gas	Helium	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.20	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.33	0.25
T_start (C)	60.	35.	50.	60.	40.
T_end (C)	240.	195.	250.	240.	250.
Heat rate (K/min)	3.	2.	5.	3.	6.
Initial hold (min)		5.			1.
Final hold (min)		30.		7.	4.
I	1299.	1293.	1299.	1298.	1278.
Reference	Alim, Goze, et al., 2009	Kim and Chung, 2009	Koba, Catherine, et al., 2009	Maridass, 2009	Seo, Kim, et al., 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5 MS	DB-5	SLB-5 MS	ZB-1	SLB-5MS
Column length (m)	30.	30.	30.	30.	10.
Carrier gas	Helium	Nitrogen	Helium	Nitrogen	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.18
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.18
T_start (C)	60.	60.	50.	45.	40.
T_end (C)	325.	240.	250.	230.	295.
Heat rate (K/min)	10.	3.	3.	3.	10.
Initial hold (min)	6.	1.	2.		1.5
Final hold (min)	10.	9.	10.
I	1303.	1297.	1299.	1277.	1326.
Reference	Zaibunnisa, Norashikin, et al., 2009	Jardin, Jham, et al., 2008	Lo Presti, Sciarrone, et al., 2008	Mierendorff, Stahl-Biskup, et al., 2008	Risticevic, Carasek, et al., 2008
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	DB-5	HP-5MS	HP-1
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	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.	35.	60.	60.
T_end (C)	230.	280.	220.	250.	240.
Heat rate (K/min)	3.	3.	3.	2.	2.
Initial hold (min)	10.			8.
Final hold (min)	10.		40.	15.	20.
I	1298.	1298.	1297.	1300.	1273.
Reference	Adams, Beauchamp, et al., 2007	Bozin B., Mlmica-Dukic N., et al., 2007	El-Ghorab A., El-Massry K.F., et al., 2007	Ferhat, Tigrine-Kordjani, et al., 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	HP-5	HP-5	DB-5	HP-5 MS
Column length (m)	30.	25.	30.	30.	30.
Carrier gas	He	H2	Helium	He	Helium
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.33	0.25	0.25	0.25
T_start (C)	45.	60.	40.	50.	60.
T_end (C)	210.	240.	260.	240.	280.
Heat rate (K/min)	3.	3.	4.	4.	3.
Initial hold (min)
Final hold (min)
I	1302.	1303.	1304.	1300.	1299.
Reference	Hudaib and Aburjai, 2007	Oliveira, Leitão, et al., 2007	Ristic, Krivokuca-Dokic, et al., 2007	Sefidkon, Abbasi, et al., 2007	Vagionas, Graikou, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	HP-5	HP-5	CP Sil 5 CB	ZB-5
Column length (m)	30.	30.	30.	25.	30.
Carrier gas	He	N2	N2	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)	40.	50.	50.	80.	40.
T_end (C)	260.	280.	280.	270.	300.
Heat rate (K/min)	4.	9.	9.	10.	2.
Initial hold (min)		3.	3.
Final hold (min)		3.	3.
I	1303.2	1279.	1283.	1278.	1297.
Reference	Zizovic, Stamenic, et al., 2007	Abdelwahed, Hayder, et al., 2006	Abdelwahed, Hayder, et al., 2006	Ayoub, Al-Azizi, et al., 2006	Biondi, Sari, 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-5	DB-1	DB-5
Column length (m)	50.	30.	30.	60.	30.
Carrier gas		He	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.	50.	60.	60.
T_end (C)	220.	280.	300.	240.	240.
Heat rate (K/min)	2.	3.	5.	5.	5.
Initial hold (min)			5.	2.	2.
Final hold (min)	20.		5.
I	1275.	1299.	1312.	1297.	1298.
Reference	Boti, Yao, et al., 2006	Bozin, Mimicá-Dukic, et al., 2006	Figuérédo, Cabassu, et al., 2006	Gohari, Hadjiakhoondi, et al., 2006	Gohari, Hadjiakhoondi, 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	CP Sil 5 CB	HP-5	HP-5 MS
Column length (m)	60.	30.	30.	30.	30.
Carrier gas	He	He		Helium	Nitrogen
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	0.25
T_start (C)	60.	60.	40.	60.	50.
T_end (C)	240.	240.	220.	260.	280.
Heat rate (K/min)	5.	5.	3.	5.	5.
Initial hold (min)	2.	2.		2.
Final hold (min)			3.	13.	5.
I	1297.	1298.	1299.	1299.	1280.
Reference	Gohari A.R., Hadjiakhoondi A., et al., 2006	Gohari A.R., Hadjiakhoondi A., et al., 2006	Hymete, Rohloff, et al., 2006	Kucuk, Gulec, et al., 2006	Marzouk, Mansour, 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	HP-5	DB-5	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	N2	Helium	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.52	0.25	0.25	0.25	0.25
T_start (C)	50.	40.	60.	60.	60.
T_end (C)	280.	240.	220.	260.	220.
Heat rate (K/min)	5.	4.	4.	4.	4.
Initial hold (min)				4.	5.
Final hold (min)	5.	5.
I	1280.	1297.	1299.	1302.	1301.
Reference	Marzouk, Neffati, et al., 2006	Miyazawa and Kawata, 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	CP-Sil 5 CB	NB-30	HP-5	DB-5	ZB-5
Column length (m)	25.	30.	30.	30.	30.
Carrier gas	Hydrogen	He	He	Hydrogen	He
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.25	0.25
Phase thickness (μm)	0.15	0.25	0.25	0.25	0.25
T_start (C)	50.	50.	60.	70.	40.
T_end (C)	230.	250.	220.	280.	300.
Heat rate (K/min)	3.	2.	5.	4.	2.
Initial hold (min)			10.	4.
Final hold (min)
I	1276.	1286.	1315.	1297.	1297.
Reference	Olawore, Usman, et al., 2006	Orav, Raal, et al., 2006	Pintore G., Chessa M., et al., 2006	Pino, Marbot, et al., 2006	Sari M., Biondi D.M., 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	DB-5	DB-5	DB-1
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	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	50.	50.	40.	40.	60.
T_end (C)	240.	240.	240.	260.	230.
Heat rate (K/min)	4.	4.	4.	2.	3.
Initial hold (min)				5.	3.
Final hold (min)				20.	10.
I	1301.	1301.	1297.	1299.	1297.
Reference	Sefidkon, Abbasi, et al., 2006	Sefidkon, Abbasi, et al., 2006	Sefidkon and Jamzad, 2006	Senatore, Landolfi, et al., 2006	Tohar, Mohd, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	HP-1	DB-5	Methyl Silicone	HP-5
Column length (m)	30.	50.	30.	60.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.2	0.249	0.3	0.25
Phase thickness (μm)	0.25	0.5	0.25		0.25
T_start (C)	60.	60.	60.	50.	50.
T_end (C)	280.	250.	290.	240.	300.
Heat rate (K/min)	3.	2.	3.	3.	5.
Initial hold (min)					5.
Final hold (min)		60.			5.
I	1289.	1278.	1297.	1300.	1312.
Reference	Basta, Tzakou, et al., 2005	Bendimerad and Bendiab, 2005	Bos, Stojanova, et al., 2005	Chalchat and Özcan, 2005	Figuérédo, Cabassu, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RSL-200	DB-5	DB-5	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas		He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.25	0.25
Phase thickness (μm)	0.25			0.25	0.25
T_start (C)	40.	60.	60.	60.	60.
T_end (C)	280.	240.	240.	220.	220.
Heat rate (K/min)	6.	3.	3.	4.	4.
Initial hold (min)	2.			5.	4.
Final hold (min)	10.
I	1299.	1292.	1300.	1298.	1299.
Reference	Jirovetz, Buchbauer, et al., 2005	Khayyat and Karimi, 2005	Khayyat and Karimi, 2005	Morteza-Semnani, Akbarzadeh, et al., 2005	Morteza-Semnani and Saeedi, 2005
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	DB-5	HP-5MS	DB-5
Column length (m)	30.	25.	30.	30.	30.
Carrier gas	He		He		He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.2	0.25
Phase thickness (μm)	0.25	0.15	0.25		0.25
T_start (C)	50.	50.	40.	60.	60.
T_end (C)	250.	230.	250.	280.	220.
Heat rate (K/min)	3.	3.	5.	3.	3.
Initial hold (min)	5.		0.5		4.
Final hold (min)			2.
I	1297.	1279.	1295.	1299.	1298.
Reference	Najafpour Navaei, Mirza, et al., 2005	Ogunwande, Olawore, et al., 2005	Özel, Gögüs, et al., 2005	Petrakis, Roussis, et al., 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-5	DB-5	DB-5	HP-5MS	CP Sil 8 CB
Column length (m)	30.	30.	30.	30.	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
T_start (C)	40.	40.	60.	60.	60.
T_end (C)	240.	260.	230.	280.	290.
Heat rate (K/min)	4.	2.	3.	3.	3.
Initial hold (min)		5.			5.
Final hold (min)		20.	20.
I	1297.	1300.	1299.	1303.	1294.
Reference	Sefidkon and Jamzad, 2005	Senatore, Apostolides Arnold, et al., 2005	Skoula and Grayer, 2005	Slavkovska, Couladis, et al., 2005	Suárez, Vásquez, 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	DB-5	HP-5	BP-1	HP-5 MS
Column length (m)	30.	30.	30.	50.	30.
Carrier gas	He	He	He		Helium
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.22	0.25
Phase thickness (μm)	0.25	0.25	0.32	0.25	0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	280.	280.	250.	220.	275.
Heat rate (K/min)	3.	3.	5.	2.	4.
Initial hold (min)			3.
Final hold (min)				20.
I	1272.	1275.	1284.	1273.	1328.
Reference	Tzakou, Bazos, et al., 2005	Tzakou and Constantinidis, 2005	Aghel, Yamini, et al., 2004	Blanc, Muselli, et al., 2004	Ghannadi, Sajjadi, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	DB-5	DB-5	DB-1	DB-1
Column length (m)	30.	60.	30.	50.	60.
Carrier gas	He	He	He	N2	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	40.	35.	95.	35.
T_end (C)	275.	280.	220.	240.	230.
Heat rate (K/min)	4.	4.	3.	4.	2.
Initial hold (min)		4.			4.
Final hold (min)					25.
I	1296.	1298.	1299.	1287.	1275.
Reference	Hajhashemi V., Ghannadi A., et al., 2004	Kalvandi, Sefidkon, et al., 2004	Palá-Paúl, Brophy, et al., 2004	Palá-Paúl, Velasco-Negueruela, 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	DB-1	DB-1	DB-1	NB-30	HP-5MS
Column length (m)	60.	60.	60.	50.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.20	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	35.	35.	35.	50.	60.
T_end (C)	230.	230.	230.	250.	280.
Heat rate (K/min)	2.	2.	2.	2.	4.
Initial hold (min)	4.	4.	4.
Final hold (min)	25.	25.	25.
I	1277.	1277.	1277.	1292.	1291.
Reference	Park, Lee, et al., 2004	Park, Lee, et al., 2004	Park, Lee, et al., 2004	Raal, Paaver, et al., 2004	Sadeghpour, Asghari, 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	DB-5	BPX-5	HP-5MS	HP-5MS
Column length (m)	30.	30.	25.	30.	30.
Carrier gas		He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.22	0.25	0.25
Phase thickness (μm)	0.25	0.25	1.	0.25	0.25
T_start (C)	50.	60.	60.	60.	60.
T_end (C)	250.	240.	250.	275.	280.
Heat rate (K/min)	3.	3.	3.	4.	3.
Initial hold (min)	5.		5.
Final hold (min)			10.
I	1297.	1296.	1325.	1298.	1295.
Reference	Sefidkon, Jamzad, et al., 2004	Tellez, Khan, et al., 2004	Vilaseca, Guy, et al., 2004	Afsharypuor and Jahromy, 2003	Couladis, Özcan, 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	HP-5	RSL-200	DB-5	SE-30
Column length (m)	60.	30.	30.	50.	12.
Carrier gas	He	He	H2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.2	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.3
T_start (C)	50.	60.	40.	50.	70.
T_end (C)	250.	275.	280.	220.	220.
Heat rate (K/min)	4.	4.	6.	3.	3.
Initial hold (min)			5.	2.
Final hold (min)			5.	10.
I	1280.	1302.	1292.	1297.	1254.
Reference	Ebrahimzadeh, Yamini, et al., 2003	Ghannadi and Zolfaghari, 2003	Jirovetz, Buchbauer, et al., 2003	Juteau, Jerkovic, et al., 2003	Kambouche and El-Abed, 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5MS	DB-5	ZB-1	HP-5	DB-1
Column length (m)	30.	50.	30.	30.	50.
Carrier gas	He	He	N2	Helium	N2
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.32	0.25
Phase thickness (μm)	0.25	0.25	0.25		0.25
T_start (C)	60.	50.	45.	70.	95.
T_end (C)	240.	220.	230.	210.	240.
Heat rate (K/min)	3.	3.	3.	2.	4.
Initial hold (min)		2.
Final hold (min)				60.
I	1299.	1296.	1277.	1296.	1291.
Reference	Maia, Taveira, et al., 2003	Masotti, Juteau, et al., 2003	Mierendorff, Stahl-Biskup, et al., 2003	Mookdasanit, Tamura, et al., 2003	Perez-Alonso, Velasco-Negueruela, 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	HP-5	DB-1	DB-1	HP-5
Column length (m)	30.	30.	60.	60.	25.
Carrier gas	H2	He	He	He	H2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.53
T_start (C)	60.	60.	40.	40.	40.
T_end (C)	280.	280.	220.	220.	280.
Heat rate (K/min)	4.	3.	4.	4.	4.
Initial hold (min)	10.
Final hold (min)	40.
I	1298.	1287.	1282.	1282.	1299.
Reference	Pino, Marbot, et al., 2003	Pitarokili, Tzakou, et al., 2003	Rasooli and Mirmostafa, 2003	Rasooli and Mirmostafa, 2003	Velickovic, Randjelovic, 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	HP-5	HP-5	HP-5	HP-5
Column length (m)	25.	25.	25.	25.	25.
Carrier gas	H2	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.32	0.32
Phase thickness (μm)	0.53	0.53	0.53	0.53	0.53
T_start (C)	40.	40.	40.	40.	40.
T_end (C)	280.	280.	280.	280.	280.
Heat rate (K/min)	4.	4.	4.	4.	4.
Initial hold (min)
Final hold (min)
I	1303.	1291.	1292.	1299.	1300.
Reference	Velickovic, Randjelovic, et al., 2003	Velickovic, Ristic, 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	DB-1	HP-1	DB-5	HP-5
Column length (m)	25.	60.	30.	30.	30.
Carrier gas	N2	He	He	N2	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.4	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	70.	50.	60.
T_end (C)	260.	220.	220.	250.	275.
Heat rate (K/min)	5.	4.	3.	4.	4.
Initial hold (min)
Final hold (min)	40.		15.
I	1273.	1272.	1275.	1298.	1307.
Reference	Azaz. D., Demirci, et al., 2002	Baher, Mirza, et al., 2002	Cavaleiro, Salgueiro, et al., 2002	Farah, Fechtal, 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	BP-1	CP Sil 8 CB	DB-5	DB-5	HP-5
Column length (m)	25.	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)	0.1	0.25	0.25	0.25	0.25
T_start (C)	40.	50.	60.	60.	60.
T_end (C)	250.	220.	240.	220.	240.
Heat rate (K/min)	8.	3.	3.	4.	3.
Initial hold (min)	5.	2.		5.
Final hold (min)
I	1282.	1307.	1298.	1299.	1314.
Reference	Hayes R.A., Richardson B.J., et al., 2002	Juteau, Masotti, et al., 2002	Kobaisy, Tellez, et al., 2002	Morteza-Semnani, Saeedi, et al., 2002	Novak, Langbehn, 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-1	SPB-5	HP-5	HP-5
Column length (m)	30.	50.	60.	30.	30.
Carrier gas		N2	He	N2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25		0.25	0.25
T_start (C)	60.	60.	40.	60.	60.
T_end (C)	240.	240.	220.	220.	220.
Heat rate (K/min)	3.	3.	3.	5.	5.
Initial hold (min)			5.	10.	10.
Final hold (min)			15.
I	1325.	1282.	1307.	1299.	1300.
Reference	Novak, Langbehn, et al., 2002	Velasco-Negueruela, Pérez-Alonso, et al., 2002	Cornu, Carnat, et al., 2001	Flamini, Cioni, et al., 2001	Gallori, Flamini, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-1	OV-101	DB-1	PTE-5	OV-101
Column length (m)	30.	50.	30.	60.	50.
Carrier gas	N2	He	N2	H2	N2
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.32	0.25
Phase thickness (μm)	0.25		0.25	0.3
T_start (C)	60.	50.	80.	60.	80.
T_end (C)	300.	250.	225.	285.	200.
Heat rate (K/min)	4.	2.	4.	4.3	2.
Initial hold (min)
Final hold (min)
I	1283.	1291.	1272.	1298.	1277.
Reference	Kalemba, Marschall, et al., 2001	Orav and Kann, 2001	Palá-Paúl, Pérez-Alonso, et al., 2001	Stojanovic, Palic, et al., 2001	Yang, 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	CP Sil 5 CB	CP Sil 5 CB	BP-1	HP-5
Column length (m)	50.	25.	25.	25.	30.
Carrier gas	N2	He	He	N2	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.33	0.25
Phase thickness (μm)		0.4	0.4	1.0	0.25
T_start (C)	80.	60.	60.	60.	60.
T_end (C)	200.	260.	260.	275.	275.
Heat rate (K/min)	2.	5.	5.	4.	4.
Initial hold (min)		40.	40.
Final hold (min)
I	1277.	1271.	1271.	1297.	1311.
Reference	Yang, 2001, 2	Baser, Özek, et al., 2000	Baser, Özek, et al., 2000	Mohagheghzadeh, Shams-Ardakani, et al., 2000	Mohagheghzadeh, Shams-Ardakani, et al., 2000, 2
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	OV-101	SE-30	OV-101	OV-101
Column length (m)	30.	50.	25.	52.	50.
Carrier gas	He	Nitrogen	He	Helium	N2
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.26	0.2
Phase thickness (μm)	0.25			0.13
T_start (C)	40.	40.	60.	50.	80.
T_end (C)	260.	200.	230.	220.	200.
Heat rate (K/min)	2.	2.	3.	3.	1.
Initial hold (min)	5.	10.		0.
Final hold (min)	2.			0.	20.
I	1279.	1280.	1329.	1287.	1299.
Reference	Senatore, Napolitano, et al., 2000	Tamura, Boonbumrung, et al., 2000	Ali N.A.M. and Jantan, 1999	Dzumayev, Tkachenko, et al., 1999	Menon, Chacko, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	SE-30	DB-1	DB-1	DB-5
Column length (m)	30.	25.	60.	60.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.32	0.25
Phase thickness (μm)			0.25		0.25
T_start (C)	40.	60.	40.	60.	60.
T_end (C)	230.	230.	280.	230.	240.
Heat rate (K/min)	4.	3.	4.	3.	3.
Initial hold (min)	1.	10.	5.
Final hold (min)				5.
I	1303.	1329.	1283.	1282.	1299.
Reference	Mockute and Bernotiene, 1999	Mohd and Jantan, 1999	Sefidkon, Dabiri, et al., 1999	Shafiee, Javidnia, et al., 1999	Tellez, Canel, et al., 1999
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	SPB-5	SE-30	OV-101
Column length (m)	25.	25.	50.	25.	25.
Carrier gas	N2	He	He	He
Substrate
Column diameter (mm)		0.20	0.32	0.2	0.32
Phase thickness (μm)	0.39		0.25
T_start (C)	60.	80.	60.	60.	50.
T_end (C)	220.	240.	240.	180.	200.
Heat rate (K/min)	5.	6.	3.	3.	5.
Initial hold (min)				10.
Final hold (min)			20.
I	1278.	1301.	1299.	1296.	1294.
Reference	Weyerstahl, Marschall, et al., 1999	Zenkevich, Kosman, et al., 1999	Doneanu and Anitescu, 1998	Jantan, Ahmad, et al., 1998	Zollo, Biyiti, et al., 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-1	DB-1	DB-5	DB-1	OV-101
Column length (m)	30.		30.	60.	52.
Carrier gas	He			He	He
Substrate
Column diameter (mm)	0.32		0.25	0.25	0.26
Phase thickness (μm)	0.25		0.25	0.25
T_start (C)	40.	80.	60.	50.	50.
T_end (C)	270.	220.	300.	250.	220.
Heat rate (K/min)	2.	6.	4.	2.5	3.
Initial hold (min)	4.		2.	5.
Final hold (min)			5.
I	1294.	1286.	1297.6	1307.	1280.
Reference	Kökdil, Kurucu, et al., 1997	Salgueiro, Vila, et al., 1997	Gawdzik, Mardarowicz, et al., 1996	Stashenko, Puertas, et al., 1996	Dzumayev, Tsibulskaya, et al., 1995
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	OV-101	OV-101	CP Sil 8 CB	BP-1
Column length (m)	60.	50.	50.	25.	25.
Carrier gas
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.20	0.33
Phase thickness (μm)	0.50
T_start (C)	50.	80.	80.	60.	45.
T_end (C)	225.	200.	200.	230.	180.
Heat rate (K/min)	2.	2.	2.	3.	3.
Initial hold (min)				10.	3.
Final hold (min)
I	1290.	1277.	1278.	1301.	1275.
Reference	Sagrero-Nieves, Bartley, et al., 1994	Tamura, Yang, et al., 1993	Tamura, Yang, et al., 1993	Jantan and Goh, 1990	Wyllie, Brophy, et al., 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	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.30
Phase thickness (μm)
T_start (C)	80.	80.	80.	80.	40.
T_end (C)	200.	200.	200.	200.	230.
Heat rate (K/min)	2.	2.	2.	2.	3.5
Initial hold (min)					5.
Final hold (min)
I	1278.	1278.	1275.	1278.	1278.
Reference	Yang and Sugisawa, 1990	Yang and Sugisawa, 1990	Sugisawa, Yang, et al., 1989	Sugisawa, Yang, et al., 1989	Nykanen, 1986
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary
Active phase	OV-101	OV-101	OV-101
Column length (m)	50.	50.	50.
Carrier gas
Substrate
Column diameter (mm)	0.30	0.30	0.32
Phase thickness (μm)
T_start (C)	40.	40.	50.
T_end (C)	230.	230.	225.
Heat rate (K/min)	3.5	3.5	4.
Initial hold (min)	5.	5.	0.1
Final hold (min)			30.
I	1278.	1302.	1300.
Reference	Nykanen, 1986	Nykanen, 1986	Stern, Flath, et al., 1985
Comment	MSDC-RI	MSDC-RI	MSDC-RI

References

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

Alizadeh and Shaabani, 2012
Alizadeh, A.; Shaabani, M., Essential oil composition, phenolic content, antioxidant and antimicrobial activity in Salvia officinalis L. cultivated in Iran, Adv. Environ. Biol., 2012, 6, 1, 221-226. [all data]

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Tellez, Khan, et al., 2004
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Afsharypuor and Jahromy, 2003
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Ghannadi and Zolfaghari, 2003
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Jirovetz, Buchbauer, et al., 2003
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Mohagheghzadeh, Shams-Ardakani, et al., 2000
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Tamura, Boonbumrung, et al., 2000
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Ali N.A.M. and Jantan, 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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