1-Octene
- Formula: C8H16
- Molecular weight: 112.2126
- IUPAC Standard InChIKey: KWKAKUADMBZCLK-UHFFFAOYSA-N
- CAS Registry Number: 111-66-0
- 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: α-Octene; α-Octylene; n-1-Octene; Caprylene; 1-C8H16; Oct-1-ene; Octene-1; Neodene 8; Octylene; 1-n-Octene; NSC 8457; SHOP C8
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Normal alkane RI, non-polar column, custom temperature program
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SLB-5 MS | SLB-5 MS | HP-1 | DB-5 MS |
Column length (m) | 30. | 30. | 30. | 50. | 60. |
Carrier gas | Helium | Helium | He | Helium | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.2 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 1.0 | |
Program | not specified | 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min) | not specified | 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) | 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) |
I | 792. | 788. | 788. | 783. | 792. |
Reference | Yusuf and Bewaji, 2011 | Costa, De Fina, et al., 2008 | Costa, De Fina, et al., 2008 | Barra, Baldovini, et al., 2007 | Liu, Xu, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-1 | DB-5 | DB-5 | RTX-5 | Methyl Silicone |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | He | Helium | Helium | N2 | Helium |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.32 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | 1.0 |
Program | 60C(5min) => 3C/min => 180C => 20C/min => 280C(10min) | not specified | not specified | not specified | -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min) |
I | 793. | 788. | 790. | 790. | 789. |
Reference | Merle, Verdeguer, et al., 2007 | Pellicer, 2007 | Pellicer, 2007 | Ádámová, Orinák, et al., 2005 | Blunden, Aneja, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil5 CB MS | MDN-5 | HP-5 | DB-5 | SE-30 |
Column length (m) | 50. | 30. | 50. | 50. | |
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | |
Phase thickness (μm) | 1.2 | 0.25 | 1.05 | 1.05 | |
Program | 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) | not specified | 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) | 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) | not specified |
I | 788. | 784. | 792. | 792. | 797. |
Reference | Iraqi, Vermeulen, et al., 2005 | Jelen and Grabarkiewicz-Szczesna, 2005 | Garcia-Estaban, Ansorena, et al., 2004 | Garcia-Estaban, Ansorena, et al., 2004, 2 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Polydimethyl siloxane | BPX-5 | BP-1 | Methyl Silicone | DB-1 |
Column length (m) | 60. | 50. | |||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | |||
Phase thickness (μm) | 1. | 1. | |||
Program | not specified | 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) | -50C => 49.9C/min => 5C(3min) => 3C/min => 50C => 5C/min => 220C(20 min) | not specified | not specified |
I | 783. | 790. | 784.90 | 783. | 788. |
Reference | Junkes, Castanho, et al., 2003 | Machiels, van Ruth, et al., 2003 | Cooke, Hassoun, et al., 2001 | N/A | Zhu and Wang, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Methyl Silicone | SPB-1 | DB-1 | DB-1 | DB-5 |
Column length (m) | 60. | 60. | 60. | 30. | |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.32 | 0.32 | 0.25 | |
Phase thickness (μm) | 5. | 0.25 | 0.25 | ||
Program | not specified | 40C(6min) => 5C/min => 80C => 10C/min => 200C | not specified | 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min | not specified |
I | 787. | 790. | 788. | 788. | 795. |
Reference | Spieksma, 1999 | Flanagan, Streete, et al., 1997 | Ciccioli, Cecinato, et al., 1994 | Ciccioli, Brancaleoni, et al., 1993 | Jean, Garneau, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Packed |
---|---|---|---|---|
Active phase | SPB-1 | SPB-1 | OV-101 | Squalane |
Column length (m) | 60. | 60. | 50. | 1. |
Carrier gas | Helium | Helium | He | |
Substrate | Celite (80-100 mesh) | |||
Column diameter (mm) | 0.53 | 0.53 | 0.24 | |
Phase thickness (μm) | 5.0 | 5.0 | ||
Program | 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C | not specified | not specified | not specified |
I | 790. | 790. | 786. | 785. |
Reference | Strete, Ruprah, et al., 1992 | Strete, Ruprah, et al., 1992 | Zenkevich and Malamakhov, 1987 | Swoboda and Lea, 1965 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Yusuf and Bewaji, 2011
Yusuf, O.K.; Bewaji, C.O.,
Evaluation of essential oils composition of methanolic Allium sativum extract on Trypanosoma brucei infected rats,
Res. Pharmaceutical Biotechnol., 2011, 3, 2, 17-21. [all data]
Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L.,
An investigation on the volatile composition of some Artemisia species from Iran,
Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919
. [all data]
Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L.,
Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE),
Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027
. [all data]
Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H.,
Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques,
Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x
. [all data]
Merle, Verdeguer, et al., 2007
Merle, H.; Verdeguer, M.; Blázquez, M.A.; Boira, H.,
Chemical composition of the essential oils from Eriocephalus africanus L. var. africanus populations growing in Spain,
Flavour Fragr. J., 2007, 22, 6, 461-464, https://doi.org/10.1002/ffj.1821
. [all data]
Pellicer, 2007
Pellicer, L.V.,
Comparison of Sensory Characteristics, and Instrumental flavor Compounds Analysis of Milk Produced by Three Proction Methods. A Thesis presented to the Faculty of the Graduate School University of Missouri-Columbia, 2007, retrieved from http://edit.missouri,edu/Winter2007/Theses/ValverdePellicerL-053107-T6722/research.pdf. [all data]
Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L.,
Retention indices as identification tool in pyrolysis-capillary gas chromatography,
J. Chromatogr. A, 2005, 1087, 1-2, 131-141, https://doi.org/10.1016/j.chroma.2005.01.003
. [all data]
Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A.,
Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina,
Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053
. [all data]
Iraqi, Vermeulen, et al., 2005
Iraqi, R.; Vermeulen, C.; Benzekri, A.; Bouseta, A.; Collin, S.,
Screening for key odorants in Moroccan green olives by gas chromatography-olfactometry/aroma extract dilution analysis,
J. Agric. Food Chem., 2005, 53, 4, 1179-1184, https://doi.org/10.1021/jf040349w
. [all data]
Jelen and Grabarkiewicz-Szczesna, 2005
Jelen, H.H.; Grabarkiewicz-Szczesna, J.,
Volatile compounds of Aspergillus strains with different abilities to produce ochratoxin A,
J. Agric. Food Chem., 2005, 53, 5, 1678-1683, https://doi.org/10.1021/jf0487396
. [all data]
Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J.,
Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham,
J. Sci. Food Agric., 2004, 84, 11, 1364-1370, https://doi.org/10.1002/jsfa.1826
. [all data]
Garcia-Estaban, Ansorena, et al., 2004, 2
Garcia-Estaban, M.; Ansorena, D.; Astiasarán, I.; Ruiz, J.,
Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME),
Talanta, 2004, 64, 2, 458-466, https://doi.org/10.1016/j.talanta.2004.03.007
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F.,
Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies,
Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]
Machiels, van Ruth, et al., 2003
Machiels, D.; van Ruth, S.M.; Posthumus, M.A.; Istasse, L.,
Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats,
Talanta, 2003, 60, 4, 755-764, https://doi.org/10.1016/S0039-9140(03)00133-4
. [all data]
Cooke, Hassoun, et al., 2001
Cooke, K.M.; Hassoun, S.; Sanders, S.M.; Pilling, M.J.,
Identification and quantification of volatile organic compounds found in a eucalyptus forest during FIELDVOC'94 in Portugal,
Chemosphere Global Change Science, 2001, 3, 3, 249-257, https://doi.org/10.1016/S1465-9972(01)00008-3
. [all data]
Zhu and Wang, 2001
Zhu, X.; Wang, W.,
The relationship between partition coefficients of hydrocarbons and their retention indices,
Acta Scientific Circumstantiae, 2001, 21, 5, 631-633. [all data]
Spieksma, 1999
Spieksma, W.,
Determination of vapor liquid equilibrium from the Kovats retention index on dimethylsilicone using the Wilson mixing tool,
J. Hi. Res. Chromatogr., 1999, 22, 10, 565-588, https://doi.org/10.1002/(SICI)1521-4168(19991001)22:10<565::AID-JHRC565>3.0.CO;2-2
. [all data]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R.,
Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas,
Eur Commission EUR, 1994, 549-568. [all data]
Ciccioli, Brancaleoni, et al., 1993
Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M.,
Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry,
J. Chromatogr., 1993, 643, 1-2, 55-69, https://doi.org/10.1016/0021-9673(93)80541-F
. [all data]
Jean, Garneau, et al., 1993
Jean, F.-I.; Garneau, F.-X.; Collin, G.J.; Bouhajib, M.; Zamir, L.O.,
The essential oil and glycosidically bound volatile compounds of Taxus canadensis marsh,
J. Essent. Oil Res., 1993, 5, 1, 7-11, https://doi.org/10.1080/10412905.1993.9698163
. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
. [all data]
Zenkevich and Malamakhov, 1987
Zenkevich, I.G.; Malamakhov, A.C.,
Evaluation of Molecular Weights of Organic Compounds based on Retention Parameters at Chromato-Spectral Analysys. Additional Criterion of Molecular Ions' Identification,
Vestn. St. Petersb. Univ. Ser. 4: Fiz. Khim, 1987, 2, 101-106. [all data]
Swoboda and Lea, 1965
Swoboda, P.A.T.; Lea, C.H.,
The flavour volatiles of fats and fat-containing foods. II - a gas chromatographic investigation of volatile autoxidation products from sunflower oil,
J. Sci. Food Agriculture, 1965, 16, 11, 680-689, https://doi.org/10.1002/jsfa.2740161108
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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