1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1R-(1α,4β,4aβ,8aβ)]-

Formula: C₁₅H₂₆O
Molecular weight: 222.3663
IUPAC Standard InChI: InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15+/m0/s1
IUPAC Standard InChIKey: LHYHMMRYTDARSZ-ZQDZILKHSA-N
CAS Registry Number: 19435-97-3
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.
Stereoisomers:
Other names: (1R,4S,4aR,8aS)-4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol; 1β-Cadin-4-en-10-ol; δ-Cadinol; δ-Cadinol, (-)-; (-)-δ-Cadinol; (-)-Cedreanol; Cedreanol, (-)-; Torreyol; α-Muurolol; Amorphan-3-en-9-ol; 4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol; 36564-42-8; Muurolol; Torreyol (α-muurolol); α-muurolol (torreyol)
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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	RTX-5 MS	CP-Sil 5 CB	OV-1	HP-5	HP-5 MS
Column length (m)	30.	25.	30.	30.	30.
Carrier gas	Helium	Helium	Helium	Hydrogen	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)		0.15	0.25	0.25	0.25
T_start (C)	60.	50.	50.	70.	60.
T_end (C)	240.	220.	250.	290.	220.
Heat rate (K/min)	3.		5.	5.	6.
Initial hold (min)			3.		3.
Final hold (min)			2.
I	1651.	1643.	1622.	1655.	1631.
Reference	Pinheiro, de Queiros, et al., 2013	Ameen, Usman, et al., 2011	Hu, Liang, et al., 2010	Radulovic, Dordevic, et al., 2010	Safaei-Ghomi and Batooli, 2010
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	5 % Phenyl methyl siloxane	DB-5	HP-5 MS
Column length (m)	50.	30.	60.	30.	30.
Carrier gas	Nitrogen	Helium	Helium	Nitrogen
Substrate
Column diameter (mm)	0.20	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.32	0.25	0.25	0.25
T_start (C)	60.	45.	90.	40.	60.
T_end (C)	220.	250.	225.	230.	280.
Heat rate (K/min)	5.	3.	3.	2.	3.
Initial hold (min)	3.	3.
Final hold (min)		5.	3.
I	1645.	1646.	1647.	1646.	1646.
Reference	Kazemi and Akhavani, 2009	Porto, Decorti, et al., 2009	Retta, Gattuso, et al., 2009	Scrivanti, Anton, et al., 2009	Baziou, Couladis, 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	HP-5	SLB-5 MS	DB-5 MS	Elite-1
Column length (m)	25.	30.	30.	30.	30.
Carrier gas	Nitrogen	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.22	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.	50.	50.	60.
T_end (C)	300.	300.	250.	300.	246.
Heat rate (K/min)	6.5	3.	3.	5.	3.
Initial hold (min)	2.		2.	5.
Final hold (min)	7.	30.	10.	5.
I	1673.	1652.	1650.	1646.	1640.
Reference	Chieng, Assim, et al., 2008	Isidorov, Lech, et al., 2008	Lo Presti, Sciarrone, et al., 2008	Noudogbessi, Yedomonhan, et al., 2008	Raj, Baby, 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	HP-5	5 % Phenyl methyl siloxane	HP-5 MS	DB-5MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Nitrogen	Helium		Helium	He
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)	50.	60.	50.	50.	60.
T_end (C)	280.	250.	250.	230.	240.
Heat rate (K/min)	5.	5.	3.	3.	3.
Initial hold (min)	1.	30.		10.
Final hold (min)	1.			10.
I	1666.	1631.	1651.	1645.	1645.
Reference	Saidana, Mahjoub, et al., 2008	Yassa and Akhani, 2008	Zellner, Bicchi, et al., 2008	Adams, Beauchamp, et al., 2007	Andrade, Oliveira, 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	DB-5	HP-5	HP-5MS	Col-Elite 5MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	Helium	Helium	He	He
Substrate
Column diameter (mm)	0.26	0.26	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.26	0.25	0.25
T_start (C)	60.	60.	60.	60.	30.
T_end (C)	240.	290.	240.	250.	246.
Heat rate (K/min)	3.	3.	4.	2.	3.
Initial hold (min)			2.	8.
Final hold (min)			20.	15.
I	1640.	1640.	1645.	1635.	1670.
Reference	Bos, Woerdenbag, et al., 2007	Elfami, Bos, et al., 2007	Farsam, Amanlou, et al., 2007	Ferhat, Meklati, et al., 2007	Gudaityte and Venskutonis R.P., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	ZB-5	DB-5	HP-5	DB-5	HP-5MS
Column length (m)	30.	30.	25.	30.	30.
Carrier gas		Helium	H2		He
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)	60.	60.	60.	40.	60.
T_end (C)	220.	300.	240.	210.	280.
Heat rate (K/min)	4.	3.	3.	2.	3.
Initial hold (min)	5.
Final hold (min)	20.			33.
I	1652.	1617.	1648.	1643.	1599.
Reference	Mohottalage, Tabacchi, et al., 2007	Moreno, Lima, et al., 2007	Oliveira, Leitão, et al., 2007	Sylvestre, Longtin, et al., 2007	Tzakou, Bazos, 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	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	He	He	He	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.26
Phase thickness (μm)	0.25	0.25	0.32	0.25	0.25
T_start (C)	60.	40.	60.	60.	60.
T_end (C)	280.	250.	250.	300.	290.
Heat rate (K/min)	3.	3.	5.	3.	3.
Initial hold (min)		5.	30.
Final hold (min)		10.
I	1646.	1604.	1631.	1635.	1640.
Reference	Vagionas, Graikou, et al., 2007	Vichi, Riu-Aumatell, et al., 2007	Yassa and Akhani, 2007	Apel, Sobral, et al., 2006	Elfami, Komar, 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-5	DB-5	DB-5	DB-1
Column length (m)	30.	30.	30.	25.	50.
Carrier gas	He	He	He	N2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.15	0.25
T_start (C)	50.	60.	60.	50.	95.
T_end (C)	300.	220.	220.	200.	240.
Heat rate (K/min)	5.	4.	4.	4.	4.
Initial hold (min)	5.		5.	3.
Final hold (min)	5.
I	1645.	1648.	1648.	1635.	1652.
Reference	Figuérédo, Cabassu, et al., 2006	Morteza-Semnani, Akbarzadeh, et al., 2006	Morteza-Semnani K., Saeedi M., et al., 2006	Ouamba, Ouabonzi, et al., 2006	Pala-Paul J., Perez-Alonso M.J., 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-5	DB-5	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	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.	60.	60.
T_end (C)	220.	280.	280.	200.	260.
Heat rate (K/min)	5.	4.	4.	2.	5.
Initial hold (min)	10.	4.	4.
Final hold (min)				60.
I	1637.	1645.	1644.	1647.	1660.
Reference	Pintore G., Chessa M., et al., 2006	Pino, Marbot, et al., 2006	Pino, Marbot, et al., 2006	Rout, Naik, et al., 2006	Sabulal, Dan, 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	HP-1	DB-5	DB-5	DB-5
Column length (m)	50.	50.	25.	30.	30.
Carrier gas	N2	He		He	He
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.5	0.15	0.25	0.25
T_start (C)	90.	60.	40.	60.	60.
T_end (C)	240.	250.	220.	240.	300.
Heat rate (K/min)	4.	2.	3.	3.	3.
Initial hold (min)			5.		3.
Final hold (min)		60.
I	1642.	1626.	1645.	1647.	1642.
Reference	Velasco-Negueruela, Pérez-Alonso, et al., 2006	Bendimerad and Bendiab, 2005	Chagonda and Chalchat, 2005	Chaverri and Cicció, 2005	Ferraz, Limberger, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-1	DB-5	HP-5MS	DB-1	HP-5MS
Column length (m)	50.	30.	30.	50.	30.
Carrier gas		He		N2
Substrate
Column diameter (mm)	0.2	0.25	0.25	0.25	0.2
Phase thickness (μm)	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	50.	95.	60.
T_end (C)	250.	230.	250.	240.	280.
Heat rate (K/min)	2.	3.	3.	4.	3.
Initial hold (min)	60.		10.
Final hold (min)			5.
I	1639.	1637.	1647.	1650.	1646.
Reference	Fernandez, Lizzani-Cuvelier, et al., 2005	Limberger, Sobral, et al., 2005	Melkani, Dev, et al., 2005	Pala-Paul, Perez-Alonso, et al., 2005	Petrakis, Roussis, 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	HP-5MS	HP-5MS	DB-1	HP-5MS
Column length (m)	30.	30.	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)	265.	280.	280.	250.	280.
Heat rate (K/min)	2.5	3.	3.	5.	3.
Initial hold (min)	1.	5.
Final hold (min)	20.			10.
I	1605.	1645.	1647.	1630.	1609.
Reference	Sarkhail, Amin, et al., 2005	Setzer, Noletto, et al., 2005	Slavkovska, Couladis, et al., 2005	Sonboli, Salehi, et al., 2005	Tzakou, Bazos, 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	CP Sil 5 CB	DB-1	DB-5
Column length (m)	30.	30.	30.	30.	25.
Carrier gas	He		N2	N2	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	0.25
T_start (C)	60.	40.	50.	50.	60.
T_end (C)	280.	220.	200.	200.	240.
Heat rate (K/min)	3.	3.	5.	5.	3.
Initial hold (min)		5.
Final hold (min)		10.
I	1621.	1604.	1639.	1630.	1647.
Reference	Tzakou and Constantinidis, 2005	Vichi, Riu-Aumatell, et al., 2005	Agnaniet, Menut, et al., 2004	Fekam Boyom, Fotio, et al., 2004	JAvidnia, Mojab, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	ZB-5	RTX-1	DB-5	HP-5MS	NB-30
Column length (m)	60.	30.	30.	30.	50.
Carrier gas	He	N2	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.2
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	60.	60.	60.	50.
T_end (C)	260.	300.	300.	280.	250.
Heat rate (K/min)	6.	4.	3.	3.	2.
Initial hold (min)	4.6
Final hold (min)	1.
I	1674.	1631.	1640.	1643.	1627.
Reference	Jürgens and Dötterl, 2004	Kalemba and Thiem, 2004	Limberger, Sobral, et al., 2004	Malencic, Couladis, et al., 2004	Orav, Stulova, 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	DB-1	HP-5
Column length (m)	50.	50.	30.	30.	25.
Carrier gas	He	N2	He	He	H2
Substrate
Column diameter (mm)	0.2	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.52
T_start (C)	50.	95.	35.	50.	40.
T_end (C)	250.	240.	220.	265.	240.
Heat rate (K/min)	2.	4.	2.5	2.5	4.
Initial hold (min)				1.
Final hold (min)			6.	20.
I	1626.	1625.	1650.	1605.	1645.
Reference	Orav, Stulova, et al., 2004	Palá-Paúl, Velasco-Negueruela, et al., 2004	Rohloff, Mordal, et al., 2004	Sarkhail, Amin, et al., 2004	Simic, Sokovic, 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-1	HP-5MS	HP-5	Methyl Silicone
Column length (m)	30.	30.	30.	30.	30.
Carrier gas		N2	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)	60.	50.	60.	60.	60.
T_end (C)	300.	200.	275.	275.	250.
Heat rate (K/min)	3.	5.	4.	4.	2.
Initial hold (min)					2.
Final hold (min)					5.
I	1632.	1635.	1642.	1656.	1629.
Reference	Suyenaga, Apel, et al., 2004	Fekam Boyom, Ngouana, et al., 2003	Ghannadi, Aghazari, et al., 2003	Ghannadi and Zolfaghari, 2003	Jayaprakasha, Rao, et al., 2003
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	HP-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	H2	He	He	He	Helium
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25
T_start (C)	40.	60.	60.	60.	70.
T_end (C)	280.	250.	280.	280.	210.
Heat rate (K/min)	6.	3.	3.	3.	2.
Initial hold (min)	5.
Final hold (min)	5.		30.	30.	60.
I	1639.	1640.	1633.	1634.	1646.
Reference	Jirovetz, Buchbauer, et al., 2003	Limberger, Simões-Pires, et al., 2003	Marongiu, Porcedda, et al., 2003	Marongiu, Porcedda, et al., 2003	Mookdasanit, Tamura, 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	DB-5	HP-5	DB-5
Column length (m)	25.	30.	30.	30.	30.
Carrier gas	H2	H2	H2	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.15	0.25	0.25	0.25	0.25
T_start (C)	50.	60.	60.	60.	40.
T_end (C)	230.	280.	280.	280.	260.
Heat rate (K/min)	3.	4.	4.	3.	2.
Initial hold (min)		10.	10.		5.
Final hold (min)		40.	40.
I	1619.	1645.	1645.	1627.	1655.
Reference	Oyedeji, Ekundayo, et al., 2003	Pino, Marbot, et al., 2003	Pino, Marbot, et al., 2003	Pitarokili, Tzakou, et al., 2003	Senatore and Bruno, 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	HP-5	DB-5	DB-5
Column length (m)	30.	60.	60.	30.	30.
Carrier gas	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.	40.	40.	60.	60.
T_end (C)	240.	250.	250.	240.	240.
Heat rate (K/min)	3.	5.	5.	3.	3.
Initial hold (min)		15.	15.
Final hold (min)
I	1649.	1641.	1645.	1648.	1647.
Reference	da Silva, Luz, et al., 2003	Stashenko, Jaramillo, et al., 2003	Stashenko, Jaramillo, et al., 2003	Zoghbi, Andrade, et al., 2003	Flamini, Ertugrul, 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 8 CB	DB-5	DB-1	DB-5
Column length (m)	50.	30.	30.	25.	30.
Carrier gas	He	He		He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.23	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.20	0.25
T_start (C)	70.	50.	40.	50.	60.
T_end (C)	240.	220.	210.	200.	240.
Heat rate (K/min)	4.	3.	2.	3.	3.
Initial hold (min)		2.	2.	3.
Final hold (min)			33.	30.
I	1640.	1630.	1649.	1631.	1645.
Reference	Iñigo, Palá-Paúl, et al., 2002	Juteau, Masotti, et al., 2002	Kabouss, Charrouf, et al., 2002	Khallouki, Younos, et al., 2002	Kobaisy, Tellez, 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	DB-5	HP-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	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	35.	35.	60.	60.	60.
T_end (C)	280.	280.	250.	275.	240.
Heat rate (K/min)	3.	4.	3.	4.	3.
Initial hold (min)	2.	2.		4.
Final hold (min)	15.	15.
I	1658.	1659.	1637.	1638.	1648.
Reference	Krauze-Baranowska, Mardarowicz, et al., 2002	Krauze-Baranowska, Mardarowicz, et al., 2002, 2	Limberger, Simões-Pires, et al., 2002	Lockwood, Asghari, et al., 2002	Maia, da Silva, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5MS	CP Sil 5 CB	DB-5	DB-1	SPB-5
Column length (m)	30.	25.	30.	30.	30.
Carrier gas	He	He	He	He	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25		0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	240.	220.	220.	250.	250.
Heat rate (K/min)	3.	5.	4.	4.	4.
Initial hold (min)			5.	10.	2.
Final hold (min)					20.
I	1645.	1632.	1646.	1648.	1645.
Reference	Maia, Zoghbi, et al., 2002	Monfared, Davarani, et al., 2002	Morteza-Semnani, Saeedi, et al., 2002	Norouzi-Arasi, Yavari, et al., 2002	Pino, Marbot, 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	HP-5	DB-5MS	DB-5	RSL-200
Column length (m)	50.	30.	30.	30.	30.
Carrier gas	N2	H2	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	0.25
T_start (C)	60.	40.	60.	60.	40.
T_end (C)	240.	280.	270.	240.	280.
Heat rate (K/min)	3.	4.	3.	3.	6.
Initial hold (min)					5.
Final hold (min)					5.
I	1610.	1645.	1645.	1647.	1638.
Reference	Velasco-Negueruela, Pérez-Alonso, et al., 2002	Velickovic, Randjelovic, et al., 2002	Zoghbi, Andrade, et al., 2002	Zoghbi, Andrade, et al., 2002, 2	Jirovetz L., Buchbauer G., et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CBP-1	PTE-5	DB-1	DB-1	RSL-200
Column length (m)	25.	60.	60.	30.	60.
Carrier gas	Nitrogen	H2	N2		H2
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.32	0.32
Phase thickness (μm)	0.25	0.3	0.25	0.25	0.25
T_start (C)	50.	60.	60.	45.	40.
T_end (C)	210.	285.	220.	300.	250.
Heat rate (K/min)	3.	4.3	3.	15.	6.
Initial hold (min)	2.		5.	2.
Final hold (min)			22.	5.
I	1640.	1645.	1644.	1660.	1675.
Reference	Ly, Yamauchi, et al., 2001	Stojanovic, Palic, et al., 2001	Bailac, Dellacasa, et al., 2000	Hedin, McKibben, et al., 2000	Jirovetz, Puschmann, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-1	DB-5	OV-101	SE-30	DB-5
Column length (m)	60.	30.	25.	30.	30.
Carrier gas	He	He		Helium	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.25		0.20	0.25
T_start (C)	60.	60.	50.	60.	60.
T_end (C)	200.	240.	200.	200.	240.
Heat rate (K/min)	4.	3.	5.	3.	3.
Initial hold (min)	5.			4.
Final hold (min)	25.
I	1642.	1645.	1618.	1669.	1644.
Reference	Meccia, Rojas, et al., 2000	Tellez, Dayan, et al., 2000	Kuiate, Zollo, et al., 1999	Prikhod'ko, Klyuev, 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	DB-5MS	SPB-5	DB-5	HP-1	OV-101
Column length (m)	30.	50.	30.	60.	25.
Carrier gas	He	He	Helium	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	50.	50.
T_end (C)	240.	240.	240.	280.	200.
Heat rate (K/min)	3.	3.	3.	4.	5.
Initial hold (min)				5.
Final hold (min)		20.
I	1646.	1650.	1648.	1620.	1640.
Reference	Zoghbi, Andrade, et al., 1999	Doneanu and Anitescu, 1998	Santos, Andrade, et al., 1998	Stashenko, Cervantes, 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	OV-101	HP-1	SE-54	OV-101
Column length (m)	30.	50.	25.	25.	50.
Carrier gas	He	He	Helium	N2
Substrate
Column diameter (mm)	0.32	0.25	0.32	0.25	0.30
Phase thickness (μm)	0.25		0.25
T_start (C)	40.	50.	60.	60.	40.
T_end (C)	270.	250.	220.	260.	230.
Heat rate (K/min)	2.	2.	4.	6.	3.5
Initial hold (min)	4.		2.	2.	5.
Final hold (min)			20.
I	1640.	1622.	1623.	1656.	1626.
Reference	Kökdil, Kurucu, et al., 1997	Orav, Kailas, et al., 1996	Thanh, Dung, et al., 1996	Bestmann, Classen, et al., 1988	Nykanen, 1986
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary
Active phase	OV-101	OV-101
Column length (m)	50.	50.
Carrier gas
Substrate
Column diameter (mm)	0.30	0.30
Phase thickness (μm)
T_start (C)	40.	40.
T_end (C)	230.	230.
Heat rate (K/min)	3.5	3.5
Initial hold (min)	5.	5.
Final hold (min)
I	1644.	1657.
Reference	Nykanen, 1986	Nykanen, 1986
Comment	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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Rout, Naik, et al., 2006
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Velasco-Negueruela, Pérez-Alonso, et al., 2006
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Bendimerad and Bendiab, 2005
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Chagonda and Chalchat, 2005
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Chaverri and Cicció, 2005
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Ferraz, Limberger, et al., 2005
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Fernandez, Lizzani-Cuvelier, et al., 2005
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Limberger, Sobral, et al., 2005
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Melkani, Dev, et al., 2005
Melkani, A.B.; Dev, V.; Beauchamp, P.S.; Negi, A.; Mehta, S.P.S.; Melkani, K.B., Constituents of the essential oil of a new chemotype of Elsholtzia strobilifera Benth., Biochem. Syst. Ecol., 2005, 33, 4, 419-425, https://doi.org/10.1016/j.bse.2004.10.009 . [all data]

Pala-Paul, Perez-Alonso, et al., 2005
Pala-Paul, J.; Perez-Alonso, M.J.; Velasco-Negueruela, A.; Vadare, J.; Villa, A.M.; Sanz, J.; Brophy, J.J., Essential oil composition of the different parts of Eryngium bourgatii Gouan from Spain, J. Chromatogr. A, 2005, 1074, 1-2, 235-239, https://doi.org/10.1016/j.chroma.2005.03.036 . [all data]

Petrakis, Roussis, et al., 2005
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Thanh, L.; Dung, N.X.; Bighetti, A.; Casanova, J.; Leclercq, P.A., Combination of cCapillary GC, GC/MS and 13C-NMR for the Characterization of the Rhizome Oil of Piper betle L. (Piperaceae) from Vietnam, Spectroscopy, 1996, 13, 2, 131-136, https://doi.org/10.1155/1997/397354 . [all data]

Bestmann, Classen, et al., 1988
Bestmann, H.-J.; Classen, B.; Kobold, U.; Vostrowsky, O.; Klingauf, F.; Stein, U., Steam volatile constituents from leaves of Rhus typhina, Phytochemistry, 1988, 27, 1, 85-90, https://doi.org/10.1016/0031-9422(88)80595-8 . [all data]

Nykanen, 1986
Nykanen, I., High Resolution Gas Chromatographic - Mass Spectrometric determination of the Flavour Composition of Wild Majoram (Origanum vulgare L.) Cultivated in Finland, Z. Lebensm Unters Forsch, 1986, 183, 4, 267-272, https://doi.org/10.1007/BF01087742 . [all data]

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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