3-Carene

Formula: C₁₀H₁₆
Molecular weight: 136.2340
IUPAC Standard InChI: InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1
IUPAC Standard InChIKey: BQOFWKZOCNGFEC-DTWKUNHWSA-N
CAS Registry Number: 13466-78-9
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.
Stereoisomers:
- (+)-3-Carene
Other names: Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-; delta-3-Carene; 3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene; δ 3-carene; 3,7,7-Trimethylbicyclo[4.1.0]-3-heptene; 3-Karen; 3-Norcarene, 3,7,7-trimethyl-; 4,7,7-Trimethyl-3-norcarene; Δ-car-3-ene; 3-δ-Carene; Car-3-ene; Carene
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Van Den Dool and Kratz 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	RTX-1	Equity-5MS	CP-Sil PONA GB	HP-5	SPB-5
Column length (m)	60.	30.	100.	25.	60.
Carrier gas	He	He	He	He
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	1.
T_start (C)	60.	50.	140.	60.	40.
T_end (C)	230.	250.	230.	240.	230.
Heat rate (K/min)	2.	3.	5.	4.	3.
Initial hold (min)			10.	2.	2.
Final hold (min)	30.	10.	25.		10.
I	1005.	1009.	1015.	1017.	1021.
Reference	Bendahou, Muselli, et al., 2008	Belsito E.L., Carbone C., et al., 2007	Cunicao, Lopes, et al., 2007	Dehghan, Solaimanian, et al., 2007	Engel and Ratel, 2007
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-101	HP-5	HP-5MS
Column length (m)	30.	30.	25.	30.	30.
Carrier gas	N2	N2	Helium	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.20	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.20	0.25	0.25
T_start (C)	50.	60.	70.	50.	80.
T_end (C)	220.	220.	200.	250.	300.
Heat rate (K/min)	5.	5.	3.	4.	4.
Initial hold (min)	10.	10.	2.	4.
Final hold (min)			15.	10.
I	1013.	1013.	1018.	1011.	1016.3
Reference	Flamini, Tebano, et al., 2007	Flamini, Tebano, et al., 2007, 2	Politeo, Jukic, et al., 2007	Quijano, Salamanca, et al., 2007	Zeng, Zhao, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	DB-5	Mega 5MS	DB-5	DB-5
Column length (m)	50.	30.	60.	30.	30.
Carrier gas	He		He	N2	N2
Substrate
Column diameter (mm)	0.22	0.25	0.25	0.32	0.25
Phase thickness (μm)	0.25	1.	0.25	0.25	0.25
T_start (C)	60.	50.	60.	60.	60.
T_end (C)	220.	290.	240.	240.	240.
Heat rate (K/min)	2.	10.	3.	3.	3.
Initial hold (min)		1.		3.	3.
Final hold (min)	20.	10.		5.	3.
I	1002.	1031.	1002.	1010.	1012.
Reference	Boti, Bighelli, et al., 2006	Bylaite and Meyer, 2006	Condurso, Verzera, et al., 2006	Dob, Dahmane, et al., 2006	Dob, Dahmane, et al., 2006, 2
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	HP-5	BP-1	HP-5MS	DB-1
Column length (m)	50.	30.	50.	20.	30.
Carrier gas	He	N2	He		N2
Substrate
Column diameter (mm)	0.22	0.25	0.22	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	50.
T_end (C)	220.	220.	220.	240.	220.
Heat rate (K/min)	2.	5.	2.	5.	4.
Initial hold (min)		10.		4.
Final hold (min)	20.		20.	15.
I	1005.	1014.	1007.	1010.	1002.
Reference	Duquesnoy, Dinh, et al., 2006	Flamini, Tebano, et al., 2006	Gonny, Cavaleiro, et al., 2006	Kallio, Jussila, et al., 2006	Kuiate, Bessière, 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	SPB-1	SPB-1	DB-1	HP-5
Column length (m)	30.	30.	30.	30.	25.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.2	0.25	0.25	0.25
T_start (C)	60.	70.	50.	60.	60.
T_end (C)	250.	220.	250.	240.	240.
Heat rate (K/min)	10.	3.	5.	4.	4.
Initial hold (min)	2.		3.
Final hold (min)	10.	15.	15.
I	1008.	1005.	1036.	1016.	1011.
Reference	Liu J.M., Nan P., et al., 2006	Pinto, Pina-Vaz, et al., 2006	Radulovic, Mananjarasoa, et al., 2006	Rezazadeh, Hamedani, et al., 2006	Rezazadeh, Hamedani, 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-5	HP-5	CP Sil 5 CB	BP-1
Column length (m)	30.	30.	30.	25.	50.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.22
Phase thickness (μm)	0.25	0.25	0.25	0.4	0.25
T_start (C)	60.	40.	60.	80.	60.
T_end (C)	280.	300.	250.	270.	220.
Heat rate (K/min)	4.	4.	10.	10.	2.
Initial hold (min)	5.	5.	2.
Final hold (min)			10.		20.
I	1009.	1007.	1025.	1012.	1006.
Reference	Saroglou, Dorizas, et al., 2006	Vundac, Pfeifhofer, et al., 2006	Zhao J.Y., Liu J.M., et al., 2006	Ziegenbein, Hanssen, et al., 2006	Boti J.B., Koukoua G., et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SE-54	DB-1	DB-1	DB-1	5 % Phenyl methyl siloxane
Column length (m)	50.	30.	30.	30.	30.
Carrier gas	H2	N2	N2		He
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.32	0.25
Phase thickness (μm)	0.27	0.25	0.25	0.25	1.
T_start (C)	50.	50.	50.	50.	40.
T_end (C)	300.	260.	260.	250.	250.
Heat rate (K/min)	5.	2.	2.	2.	7.
Initial hold (min)		3.	3.	8.	10.
Final hold (min)		5.	5.		5.
I	1009.	1011.	999.	1001.	1020.
Reference	Brantner, Pfeifhofer, et al., 2005	Dob, Berramdane, et al., 2005	Dob T., Berramdane T., et al., 2005	Dob, Dahmane, et al., 2005	Estevez, Ventanas, 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-1	HP-5	DB-1	CP Sil 5 CB
Column length (m)	30.	30.	30.	30.	50.
Carrier gas	He	He	N2	He	H2
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	0.13
T_start (C)	40.	40.	60.	40.	40.
T_end (C)	250.	260.	220.	250.	300.
Heat rate (K/min)	3.	2.	5.	3.	4.
Initial hold (min)		5.	10.
Final hold (min)	20.	20.		20.	10.
I	994.	1004.	1013.	998.	1003.
Reference	Fanciullino, Gancel, et al., 2005	de Feo, Urrunaga Soria, et al., 2005	Flamini, Luigi Cioni, et al., 2005	Gancel, Ollitrault, et al., 2005	Idzojtic, Kajba, 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	SE-54	HP-5MS	Mega 5MS
Column length (m)	25.	30.	25.	60.	30.
Carrier gas		He	H2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.2	0.25
Phase thickness (μm)	0.25	0.25	0.2	0.25	0.25
T_start (C)	60.	60.	50.	60.	40.
T_end (C)	180.	250.	250.	200.	240.
Heat rate (K/min)	3.	4.	4.	2.	3.
Initial hold (min)	10.	2.			2.
Final hold (min)	10.	20.		10.
I	1032.	1011.	1001.	1008.	1002.
Reference	bin Jantan, Yalvema, et al., 2005	Pino, Mesa, et al., 2005	Simionatto, Porto, et al., 2005	Smadja, Rondeau, et al., 2005	Verzera, Trozzi, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SE-54	HP-5	RTX-5	HP-1	HP-5
Column length (m)	30.	30.	30.	25.	30.
Carrier gas	He	N2	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	0.17	0.25
T_start (C)	60.	60.	45.	50.	60.
T_end (C)	260.	220.	300.	200.	240.
Heat rate (K/min)	2.	5.	3.	3.	3.
Initial hold (min)	5.	10.	6.
Final hold (min)			10.
I	1008.	1011.	1007.	997.	1013.
Reference	Alma, Nitz, et al., 2004	Bertoli, Pistelli, et al., 2004	Dugo, Mondello, et al., 2004	Fernández-Ocaña, Gómez-Rodríguez, et al., 2004	Flamini, Bader, 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	HP-5	DB-5MS	HP-5MS
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	N2	N2	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.	40.	50.
T_end (C)	240.	240.	260.	280.	300.
Heat rate (K/min)	3.	3.	3.	4.	5.
Initial hold (min)				2.	5.
Final hold (min)
I	1012.	1012.	1010.	1007.	1008.
Reference	Flamini, Cioni, et al., 2004	Flamini, Cioni, et al., 2004	Javidnia, Miri, et al., 2004	Mardarowicz, Wianowska, et al., 2004	Mumm, Tiemann, 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	HP-5MS	DB-5MS	HP-5
Column length (m)	30.	50.	30.	30.	30.
Carrier gas	N2	He	He	He	N2
Substrate
Column diameter (mm)	0.32	0.2	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.2	0.25	0.25	0.25
T_start (C)	60.	40.	50.	40.	60.
T_end (C)	220.	250.	200.	200.	220.
Heat rate (K/min)	5.	3.	6.	4.	5.
Initial hold (min)		15.	1.5	5.	10.
Final hold (min)	13.	40.	5.	20.
I	1001.	1009.	1015.	1015.	1012.
Reference	Raina, Kumar, et al., 2004	Stashenko, Jaramillo, et al., 2004	Weissbecker, Holighaus, et al., 2004	Yu, Kim, et al., 2004	Angelini, Carpanese, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-1	DB-1	SPB-1	RTX-1	DB-1
Column length (m)	25.	30.	30.	60.	30.
Carrier gas	H2	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.22	0.25
Phase thickness (μm)	0.3	0.25	0.2	0.25	0.25
T_start (C)	50.	40.	70.	60.	40.
T_end (C)	200.	250.	220.	230.	250.
Heat rate (K/min)	3.	3.	3.	2.	2.
Initial hold (min)	1.				5.
Final hold (min)	20.	20.	15.	45.
I	1001.	992.	1005.	1006.	997.
Reference	Bicchi, Rubiolo, et al., 2003	Brat, Rega, et al., 2003	Cavaleiro, Salgueiro, et al., 2003	Cavalli, Tomi, et al., 2003	de Feo, Urrunaga Soria, 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	DB-5	HP-5	DB-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He			He	N2
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.5		0.25	0.25
T_start (C)	40.	40.	25.	75.	75.
T_end (C)	250.	265.	150.	230.	230.
Heat rate (K/min)	3.	7.	3.	3.	3.
Initial hold (min)			5.	10.	10.
Final hold (min)	20.	5.		20.
I	998.	1012.	1008.	1008.	1009.
Reference	Gancel, Ollitrault, et al., 2003	Högnadóttir and Rouseff, 2003	Isidorov, Vinogorova, et al., 2003	Jantan, Ling, et al., 2003	bin Jantan, Yassin, 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	HP-5MS	HP-5MS	DB-1
Column length (m)	25.	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	0.25
T_start (C)	60.	60.	60.	50.	40.
T_end (C)	260.	240.	280.	250.	270.
Heat rate (K/min)	4.	3.	3.	3.	2.
Initial hold (min)					5.
Final hold (min)					20.
I	1012.	1013.	1009.	1010.	996.
Reference	Javidnia, Miri, et al., 2003	Macchioni, Cioni, et al., 2003	Mimica-Dukic, Kujundzic, et al., 2003	Salido, Altarejos, et al., 2003	Senatore, Lentini, 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	DB-5	Mega 5MS	DB-5	CP Sil 8 CB
Column length (m)	30.	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	1.	0.25
T_start (C)	40.	60.	40.	50.	40.
T_end (C)	325.	240.	240.	200.	250.
Heat rate (K/min)	3.	3.	3.	2.5	4.
Initial hold (min)			2.		8.
Final hold (min)					10.
I	999.4	1013.	1002.	1019.4	1016.
Reference	Sun and Stremple, 2003	Tampieri, Galuppi, et al., 2003	Verzera, Trozzi, et al., 2003	Xu, van Stee, et al., 2003	Duckham, Dodson, 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	HP-5	RTX-5 MS	BP-1	DB-5
Column length (m)	30.	30.	30.	50.	25.
Carrier gas		N2	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.22	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25
T_start (C)	50.	60.	45.	60.	70.
T_end (C)	280.	220.	180.	220.	260.
Heat rate (K/min)	3.	5.	2.5	2.	4.
Initial hold (min)	5.	10.	10.
Final hold (min)				20.
I	1011.	1013.	1010.	1005.	1011.
Reference	Economakis, Skaltsa, et al., 2002	Flamini, Cioni, et al., 2002	Hudaib, Speroni, et al., 2002	Lota, de Rocca Serra, et al., 2002	Miri, Ramezani, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP Sil 8 CB	SPB-5	CP Sil 5 CB	DB-1	HP-5MS
Column length (m)	60.	30.	30.	50.	30.
Carrier gas	He	He	H2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.22	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	60.	60.	60.	50.
T_end (C)	250.	250.	280.	220.	250.
Heat rate (K/min)	4.	4.	2.	2.	5.
Initial hold (min)	8.	2.	10.		2.
Final hold (min)	10.	20.	40.	20.	5.
I	1013.	1011.	1001.	1005.	1008.
Reference	Oruna-Concha, Ames, et al., 2002	Pino, Marbot, et al., 2002	Pino, Marbot, et al., 2002, 2	Pintore, Usai, et al., 2002	Shang, Hu, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-5	RTX-5	HP-5	HP-5	CP-Sil 8CB-MS
Column length (m)	30.	30.	30.	30.	60.
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)	45.	45.	60.	60.	40.
T_end (C)	250.	250.	280.	280.	280.
Heat rate (K/min)	3.	3.	3.	3.	4.
Initial hold (min)	6.	6.	5.	5.	2.
Final hold (min)
I	1011.	1012.	1009.	1009.	1016.
Reference	Shellie, Mondello, et al., 2002	Shellie, Mondello, et al., 2002	Aligiannis, Kalpoutzakis, et al., 2001	Aligiannis, Kalpoutzakis, et al., 2001, 2	Bruna, Hierro, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SE-30	BP-1	CP Sil 5 CB	BP-1	BP-1
Column length (m)	25.	50.	50.	50.	50.
Carrier gas	N2	He	He	He
Substrate
Column diameter (mm)	0.20	0.22	0.32	0.22	0.22
Phase thickness (μm)		0.25	0.4	0.25	0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	180.	220.	280.	220.	220.
Heat rate (K/min)	3.	2.	3.	2.	2.
Initial hold (min)	10.		10.
Final hold (min)	1.		60.	20.	20.
I	1009.	1005.	1001.	1006.	1005.
Reference	bin Jantan, Basni, et al., 2001	Lota, Serra, et al., 2001	Pino, Marbot, et al., 2001	Rezzi, Bighelli, et al., 2001	Rezzi, Cavaleiro, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	SE-54	SE-54	HP-5	CP Sil 8 CB
Column length (m)	30.	25.	25.	30.
Carrier gas	He			He
Substrate
Column diameter (mm)	0.25	0.31	0.31	0.20
Phase thickness (μm)	0.25			0.25
T_start (C)	60.	35.	35.	60.	60.
T_end (C)	280.	230.	230.	180.	220.
Heat rate (K/min)	4.	4.	4.	4.	4.
Initial hold (min)	5.	3.	3.	8.	5.
Final hold (min)		10.	10.	2.	30.
I	1011.	1013.80	1014.72	1011.	1010.
Reference	Skaltsa, Mavrommati, et al., 2001	Yin, Xiu, et al., 2001	Yin, Xiu, et al., 2001	Alonzo, Bosco, et al., 2000	Chevance, Farmer, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	BP-1	BP-1	Mega 5MS	Mega 5MS
Column length (m)	30.	50.	50.	30.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.22	0.22	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	50.	60.	60.	40.	40.
T_end (C)	280.	230.	230.	240.	240.
Heat rate (K/min)	4.	2.	2.	3.	3.
Initial hold (min)	5.			2.	2.
Final hold (min)		35.	35.
I	1011.	1005.	1005.	1002.	1002.
Reference	Lazari, Skaltsa, et al., 2000	Lota, de Rocca Serra, et al., 2000	Lota, de Rocca Serra, et al., 2000	Verzera, la Rosa, et al., 2000	Verzera, Trozzi, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP Sil 8 CB	DB-1	BP-1	HP-1	Methyl Silicone
Column length (m)	50.	60.	50.	60.	50.
Carrier gas			He	He	N2
Substrate
Column diameter (mm)	0.32	0.32	0.22	0.25	0.25
Phase thickness (μm)		1.	0.25	0.25	0.17
T_start (C)	60.	-50.	60.	50.	80.
T_end (C)	220.	175.	230.	250.	200.
Heat rate (K/min)	4.	6.	2.	2.5	2.
Initial hold (min)	5.	2.		5.
Final hold (min)	30.		35.
I	1010.	1012.0	1005.	1000.	1018.
Reference	Chevance and Farmer, 1999	Helmig, Klinger, et al., 1999	Lota, Serra, et al., 1999	Stashenko, Cervantes, et al., 1999	Sumathykutty, Rao, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-1	DB-5	SPB-5	BP-1	DB-5
Column length (m)	25.	30.	60.	50.	60.
Carrier gas			He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.22	0.24
Phase thickness (μm)	0.3	0.25	1.	0.25
T_start (C)	50.	50.	40.	60.	50.
T_end (C)	200.	250.	200.	220.	280.
Heat rate (K/min)	3.	3.	3.	2.	5.
Initial hold (min)	1.		5.		3.
Final hold (min)	20.		2.	20.
I	1001.	1010.	1019.	1010.	1010.
Reference	Bicchi, Rubiolo, et al., 1998	Isidorov, Zenkevich, et al., 1998	Verdier-Metz., Coulon, et al., 1998	Tam, An, et al., 1998	Tzakou, Roussis, et al., 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary
Active phase	Methyl Silicone	HP-101	DB-5	HP-1
Column length (m)	25.	50.	60.	50.
Carrier gas	He	N2	He	He
Substrate
Column diameter (mm)	0.2	0.25	0.32	0.32
Phase thickness (μm)	0.3		1.	1.05
T_start (C)	40.	70.	40.	40.
T_end (C)	200.	200.	220.	230.
Heat rate (K/min)	2.	3.	3.	2.
Initial hold (min)
Final hold (min)				40.
I	1016.	1017.	1014.	1031.
Reference	Píry, Príbela, et al., 1995	Chung, Eiserich, et al., 1993	Le Quere and Latrasse, 1990	Tang, Zhang, et al., 1990
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes

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Flamini, Cioni, et al., 2004
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Mumm, Tiemann, et al., 2004
Mumm, R.; Tiemann, T.; Schulz, S.; Hilker, M., Analysis of volatiles from black pine (Pinus nigra): significance of wounding and egg deposition by a herbivorous sawfly, Phytochemistry, 2004, 65, 24, 3221-3230, https://doi.org/10.1016/j.phytochem.2004.10.010 . [all data]

Raina, Kumar, et al., 2004
Raina, V.K.; Kumar, A.; Srivastava, S.K.; Syamsundar, K.V.; Kahol, A.P., Essential oil composition of 'kewda' (Pandanus odoratissimus) from India, Flavour Fragr. J., 2004, 19, 5, 434-436, https://doi.org/10.1002/ffj.1331 . [all data]

Stashenko, Jaramillo, et al., 2004
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R., Analysis of volatile secondary metabolites from Colombian Xylopia aromatica (Lamarck) by different extraction and headspace methods and gas chromatography, J. Chromatogr. A, 2004, 1025, 1, 105-113, https://doi.org/10.1016/j.chroma.2003.10.059 . [all data]

Weissbecker, Holighaus, et al., 2004
Weissbecker, B.; Holighaus, G.; Schütz, S., Gas chromatography with mass spectrometric and electroantennographic detection: analysis of wood odorants by direct coupling of insect olfaction and mass spectrometry, J. Chromatogr. A, 2004, 1056, 1-2, 209-216, https://doi.org/10.1016/j.chroma.2004.06.120 . [all data]

Yu, Kim, et al., 2004
Yu, E.J.; Kim, T.H.; Kim, K.H.; Lee, H.J., Characterization of aroma-active compounds of Abies nephrolepis (Khingan fir) needles using aroma extract dilution analysis, Flavour Fragr. J., 2004, 19, 1, 74-79, https://doi.org/10.1002/ffj.1314 . [all data]

Angelini, Carpanese, et al., 2003
Angelini, L.G.; Carpanese, G.; Cioni, P.L.; Morelli, I.; Macchia, M.; Flamini, G., Essential oils from Mediterranean lamiaceae as weed germination inhibitors, J. Agric. Food Chem., 2003, 51, 21, 6158-6164, https://doi.org/10.1021/jf0210728 . [all data]

Bicchi, Rubiolo, et al., 2003
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Brat, Rega, et al., 2003
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Cavalli, Tomi, et al., 2003
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de Feo, Urrunaga Soria, et al., 2003
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Pintore, G.; Usai, M.; Bradesi, P.; Juliano, C.; Boatto, G.; Tomi, F.; Chessa, M.; Cerri, R.; Casanova, J., Chemical composition and antimicrobial activity of Rosmarinus officinalis L. oils from Sardinia and Corsica, Flavour Fragr. J., 2002, 17, 1, 15-19, https://doi.org/10.1002/ffj.1022 . [all data]

Shang, Hu, et al., 2002
Shang, C.; Hu, Y.; Deng, C.; Hu, K., Rapid determination of volatile constituents of Michelia alba flowers by gas chromatography-mass spectrometry with solid-phase microextraction, J. Chromatogr. A, 2002, 942, 1-2, 283-288, https://doi.org/10.1016/S0021-9673(01)01382-6 . [all data]

Shellie, Mondello, et al., 2002
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Aligiannis, Kalpoutzakis, et al., 2001
Aligiannis, N.; Kalpoutzakis, E.; Mitaku, S.; Chinou, I.B., Composition and antimicrobial activity of the essential oils of two Origanum species, J. Agric. Food Chem., 2001, 49, 9, 4168-4170, https://doi.org/10.1021/jf001494m . [all data]

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Aligiannis, N.; Kalpoutzakis, E.; Chinou, I.B.; Mitaku, S.; Gikas, E.; Tsarbopoulos, A., Composition and antimicrobial activity of the essential oils of five taxa of Sideritis from Greece, J. Agric. Food Chem., 2001, 49, 2, 811-815, https://doi.org/10.1021/jf001018w . [all data]

Bruna, Hierro, et al., 2001
Bruna, J.M.; Hierro, E.M.; de la Hoz, L.; Mottram, D.S.; Fernández, M.; Ordóñez, J.A., The contribution of Penicillium aurantiogriseum to the volatile composition and sensory quality of dry fermented sausages, Meat Sci., 2001, 59, 1, 97-107, https://doi.org/10.1016/S0309-1740(01)00058-4 . [all data]

bin Jantan, Basni, et al., 2001
bin Jantan, I.; Basni, I.; Ahmad, A.S.; Ali, N.A.M.; Ahmad, A.R.; Ibrahim, H., Constituents of the rhizome oils of Boesenbergia pandurata (Roxb.) Schlecht from Malaysia, Indonesia and Thailand, Flavour Fragr. J., 2001, 16, 2, 110-112, https://doi.org/10.1002/ffj.956 . [all data]

Lota, Serra, et al., 2001
Lota, M.-L.; Serra, D.R.; Jacquemond, C.; Tomi, F.; Casanova, J., Chemical variability of peel and leaf essential oils of sour orange, Flavour Fragr. J., 2001, 16, 2, 89-96, https://doi.org/10.1002/1099-1026(200103/04)16:2<89::AID-FFJ950>3.0.CO;2-D . [all data]

Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit, J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r . [all data]

Rezzi, Bighelli, et al., 2001
Rezzi, S.; Bighelli, A.; Mouillot, D.; Casanova, J., Composition and chemical variability of the needle essential oil of Pinus nigra subsp. laricio from corsica, Flavour Fragr. J., 2001, 16, 5, 379-383, https://doi.org/10.1002/ffj.1018 . [all data]

Rezzi, Cavaleiro, et al., 2001
Rezzi, S.; Cavaleiro, C.; Bighelli, A.; Salgueiro, L.; da Cunha, A.P.; Casanova, J., Intraspecific chemical variability of the leaf essential oil of Juniperus phoenicea subsp. turbinata from Corsica, Biochem. Syst. Ecol., 2001, 29, 2, 179-188, https://doi.org/10.1016/S0305-1978(00)00044-2 . [all data]

Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T., A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae), Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6 . [all data]

Yin, Xiu, et al., 2001
Yin, W.; Xiu, Z.; Aijin, H., Analysis of the volatile components in trogopterorum feces by capillary gas chromatography and gas chromatography/mass spectrometry, Fenxi Huaxue, 2001, 29, 2, 195-198. [all data]

Alonzo, Bosco, et al., 2000
Alonzo, G.; Bosco, S.F.D.; Palazzolo, E.; Saiano, F.; Tusa, N., Citrus somatic hybrid leaf essential oil, Flavour Fragr. J., 2000, 15, 4, 258-262, https://doi.org/10.1002/1099-1026(200007/08)15:4<258::AID-FFJ906>3.0.CO;2-F . [all data]

Chevance, Farmer, et al., 2000
Chevance, F.F.V.; Farmer, L.J.; Desmond, E.M.; Novelli, E.; Troy, D.J.; Chizzolini, R., Effect of some fat replacers on the release of volatile aroma compounds from low-fat meat products, J. Agric. Food Chem., 2000, 48, 8, 3476-3484, https://doi.org/10.1021/jf991211u . [all data]

Lazari, Skaltsa, et al., 2000
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T., Volatile constituents of Centaurea pelia DC., C. thessala Hausskn. subsp. drakiensis (Freyn Sint.) Georg. and C. zuccariniana DC. from Greece, Flavour Fragr. J., 2000, 15, 1, 7-11, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<7::AID-FFJ860>3.0.CO;2-3 . [all data]

Lota, de Rocca Serra, et al., 2000
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Casanova, J., Chemical variability of peel and leaf essential oils of mandarins from Citrus reticulata Blanco, Biochem. Syst. Ecol., 2000, 28, 1, 61-78, https://doi.org/10.1016/S0305-1978(99)00036-8 . [all data]

Verzera, la Rosa, et al., 2000
Verzera, A.; la Rosa, G.; Zappalà, M.; Cotroneo, A., Essential oil composition of different cultivars of bergamot grown in Sicily, Ital. J. Food Sci., 2000, 12, 4, 493-501. [all data]

Verzera, Trozzi, et al., 2000
Verzera, A.; Trozzi, A.; Cotroneo, A.; Lorenzo, D.; Dellacassa, E., Uruguayan essential oil. 12. Composition of Nova and Satsuma mandarin oils, J. Agric. Food Chem., 2000, 48, 7, 2903-2909, https://doi.org/10.1021/jf990734z . [all data]

Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J., Identification of major volatile odor compounds in frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d . [all data]

Helmig, Klinger, et al., 1999
Helmig, D.; Klinger, L.F.; Guenther, A.; Vierling, L.; Geron, C.; Zimmerman, P., Biogenic volatile organic compound emissions (BVOCs). I. Identifications from three continental sites in the U.S., Chemosphere, 1999, 38, 9, 2163-2187, https://doi.org/10.1016/S0045-6535(98)00425-1 . [all data]

Lota, Serra, et al., 1999
Lota, M.-L.; Serra, D.R.; Tomi, F.; Bessiere, J.-M.; Casanova, J., Chemical composition of peel and leaf essential oils of Citrus medica L. and C. limonimedica Lush., Flavour Fragr. J., 1999, 14, 3, 161-166, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<161::AID-FFJ801>3.0.CO;2-8 . [all data]

Stashenko, Cervantes, et al., 1999
Stashenko, E.E.; Cervantes, M.; Combariza, Y.; Fuentes, H.; Martínez, J.R., HRGC/FID and HRGC/MSD analysis of the secondary metabolites obtained by different extraction methods from Lepechinia schiedeana, an in vitro evaluation of its antioxidant activity, J. Hi. Res. Chromatogr., 1999, 22, 6, 343-349, https://doi.org/10.1002/(SICI)1521-4168(19990601)22:6<343::AID-JHRC343>3.0.CO;2-J . [all data]

Sumathykutty, Rao, et al., 1999
Sumathykutty, M.A.; Rao, J.M.; Padmakumari, K.P.; Narayanan, C.S., Essential oil constituents of some Piper species, Flavour Fragr. J., 1999, 14, 5, 279-282, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<279::AID-FFJ821>3.0.CO;2-0 . [all data]

Bicchi, Rubiolo, et al., 1998
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Isidorov, Zenkevich, et al., 1998
Isidorov, V.A.; Zenkevich, I.G.; Dubis, E.N.; Slowikowski, A.; Wojciuk, E., Group identification of essential oils components using partition coefficients in a hexane-acetonitrile system, J. Chromatogr. A, 1998, 814, 1-2, 253-260, https://doi.org/10.1016/S0021-9673(98)00398-7 . [all data]

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Verdier-Metz., I.; Coulon, J.-B.; PPradel, P.; Viallon, C.; Berdague, J.-L., Effect of forage conservation (hay or silage) and cow breed on the coagulation properties of milks and on the characteristics of ripened cheeses, J. Dairy Res., 1998, 65, 1, 9-21, https://doi.org/10.1017/S0022029997002616 . [all data]

Tam, An, et al., 1998
Tam, N.T.; An, H.L.; Muselli, a.; Bighelli, A.; Casanova, J., Essential oil of an unidentified Illicium species from Ninh Binh Province, Vietnam, Flavour Fragr. J., 1998, 13, 6, 393-396, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<393::AID-FFJ764>3.0.CO;2-R . [all data]

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Píry, J.; Príbela, A.; Durcanská, J.; Farkas, P., Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods, Food Chem., 1995, 54, 1, 73-77, https://doi.org/10.1016/0308-8146(95)92665-7 . [all data]

Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb), J. Agric. Food Chem., 1993, 41, 10, 1693-1697, https://doi.org/10.1021/jf00034a033 . [all data]

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Le Quere, J.-L.; Latrasse, A., Composition of the Essential Oils of Blackcurrant Buds (Ribes nigrum L.), J. Agric. Food Chem., 1990, 38, 1, 3-10, https://doi.org/10.1021/jf00091a001 . [all data]

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Notes

Go To: Top, Van Den Dool and Kratz 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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