3-Octanol
- Formula: C8H18O
- Molecular weight: 130.2279
- IUPAC Standard InChIKey: NMRPBPVERJPACX-UHFFFAOYSA-N
- CAS Registry Number: 589-98-0
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: n-Octan-3-ol; Ethylamylcarbinol; Amylethylcarbinol; Ethyl-n-amylcarbinol; Octanol-3; D-n-Octanol; Octan-3-ol
- Information on this page:
- Other data available:
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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-1 | Siloxane, 5 % Ph | HP-5 | Polydimethyl siloxane, 5 % phenyl | DB-1 |
Column length (m) | 30. | 30. | |||
Carrier gas | Hydrogen | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | |||
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) | not specified | not specified | not specified | not specified |
I | 974. | 986. | 996. | 986. | 995. |
Reference | Albano, Lima, et al., 2012 | VOC BinBase, 2012 | Citron, Riclea, et al., 2011 | Skogerson, Wohlgemuth, et al., 2011 | 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 | DB-5 | DB-5 MS | HP-1 |
Column length (m) | 30. | 25. | 30. | 30. | 50. |
Carrier gas | Helium | Helium | Helium | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.17 | 0.25 | 0.25 | 0.33 |
Program | 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C | 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C | not specified | not specified | 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) |
I | 1000. | 1000. | 1004. | 996. | 974. |
Reference | Courtois, Paine, et al., 2009 | Maggi, Bilek, et al., 2009 | Porto, Decorti, et al., 2009 | Su, Wang, et al., 2009 | Barra, Baldovini, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-1 | SPB-1 | HP-5 | HP-5 | SPB-5 |
Column length (m) | 50. | 50. | 60. | ||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 1. | ||
Program | 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min) | 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min) | not specified | 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) | 60C => 1C/min => 130C => 2C/min => 200C => 4C/min => 250C (40min) |
I | 981. | 981. | 993. | 994. | 990. |
Reference | Díaz-Maroto, Castillo, et al., 2007 | Díaz-Maroto, Castillo, et al., 2007 | Liolios, Laouer, et al., 2007 | Splivallo, Bossi, et al., 2007 | Chemat, Lucchesi, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | SE-52 | RTX-5 | RTX-5 | DB-5MS |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | N2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 0.15 | 0.25 | 0.25 | 0.25 |
Program | 60C => 1C/min => 130C => 2C/min => 200C => 4C/min => 250C(40min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) | not specified | not specified | 70C(2min) => 10C/min => 150C(15min) => 5C/min => 240C |
I | 990. | 991. | 1012. | 1012. | 1013. |
Reference | Iriti, Colnaghi, et al., 2006 | Tognolini, Barocelli, et al., 2006 | Ádámová, Orinák, et al., 2005 | Ádámová, Orinák, et al., 2005 | Bagci and Baser, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | MDN-5 | HP-5MS | SPB-5 | Polydimethyl siloxane | AT-5 |
Column length (m) | 30. | 30. | 60. | 60. | |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.25 | |
Program | not specified | 50C(3min) => 3C/min => 150C(10min) => 10C/min => 250C | not specified | not specified | 50 0C 5 0C/min -> 135 0C (1 min) 5 0C/min -> 225 0C (5 min) 5 0C/min -> 260 0C |
I | 989. | 991. | 994. | 982. | 993. |
Reference | Jelen and Grabarkiewicz-Szczesna, 2005 | Sahin, Gulluce, et al., 2004 | Begnaud, Pérès, et al., 2003 | Junkes, Castanho, et al., 2003 | Usai, Atzei, 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 | DB-5 | Polydimethyl siloxane | DB-1 | Methyl Silicone |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | H2 | ||||
Substrate | |||||
Column diameter (mm) | 0.20 | 0.20 | 0.25 | ||
Phase thickness (μm) | 1.0 | 1.0 | 0.25 | ||
Program | not specified | not specified | not specified | 40 0C 3 K/min -> 175 0C 15 K/min -> 240 0C (10 min) | not specified |
I | 988. | 988. | 961. | 974. | 982. |
Reference | Rapior, Breheret, et al., 2002 | Rapior, Breheret, et al., 2002 | Spanier, Shahidi, et al., 2001 | da Silva, Pedro, et al., 2000 | Estrada and Gutierrez, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-5 | SE-54 | SE-54 | DB-1 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 45C => 3C/min => 170C => 15C/min => 300C(10min) | 60C => 3C/min => 240C => 30C/min => 300C | 35C => 40C/min => 60C (1min) => 6C/min => 250C | 35C => 40C/min => 60C (1min) => 6C/min => 250C | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 240 0C (10 min) |
I | 974. | 996. | 987. | 987. | 974. |
Reference | Pedro, da Silva, et al., 1999 | Yusuf, Begum, et al., 1998 | Lizárraga-Guerra, Guth, et al., 1997 | Lizárraga-Guerra, Guth, et al., 1997 | Barroso, Figueiredo, et al., 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-1 | OV-1 | OV-101 |
Column length (m) | 60. | 35. | 60. |
Carrier gas | |||
Substrate | |||
Column diameter (mm) | 0.32 | 0.50 | 0.25 |
Phase thickness (μm) | 1.5 | ||
Program | not specified | not specified | not specified |
I | 979. | 986. | 971. |
Reference | Binder and Flath, 1989 | De Pooter and Schamp, 1987 | Shibamoto, 1987 |
Comment | 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.
Albano, Lima, et al., 2012
Albano, S.M.; Lima, A.S.; Miguel, M.G.; Pedro, L.G.; Barroso, J.G.; Figueiredo, A.C.,
Antioxidant, anti-5-lipoxygenase and antiacetylcholinesterase activities of essential oils and decoction water of some aromatic plants,
Rec. Nat. Prod., 2012, 6, 1, 35-48. [all data]
VOC BinBase, 2012
VOC BinBase,
The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]
Citron, Riclea, et al., 2011
Citron, C.A.; Riclea, R.; Brock, N.L.; Dickschat, J.S.,
Biosynthesis of acorane sesquiterpenes by Trichoderma. Electronic supplemental materials (ESI),
Royal Soc. Chem., 2011, 1-10. [all data]
Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O.,
VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
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Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J.,
Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana,
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Maggi, Bilek, et al., 2009
Maggi, F.; Bilek, T.; Lucarini, D.; Papa, F.; Sagratini, G.; Vittori, S.,
Melittis melissophyllum L. subsp. melissophylum (Lamiaceae) from central Italy: A new source of a mushrrom-like flavour,
Food Chem., 2009, 113, 1, 216-221, https://doi.org/10.1016/j.foodchem.2008.07.066
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Porto, Decorti, et al., 2009
Porto, C.Da.; Decorti, D.; Kikic, I.,
Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: comparison of three different extraction methods,
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Su, Wang, et al., 2009
Su, Y.; Wang, C.; Yinlong, G.,
Analysis of volatile compounds from Mentha hapioealyx Briq. by GC-MS based on accurate mass measurements and retention indices,
Acta Chem. Sinica, 2009, 67, 6, 546-554. [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
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Díaz-Maroto, Castillo, et al., 2007
Díaz-Maroto, M.C.; Castillo, N.; Castro-Vázquez, L.; González-Viñas, M.A.; Pérez-Coello, M.S.,
Volatile composition and olfactory profile of pennyroyal (Mentha pulegium L.) plants,
Flavour Fragr. J., 2007, 22, 2, 114-118, https://doi.org/10.1002/ffj.1766
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Liolios, Laouer, et al., 2007
Liolios, C.; Laouer, H.; Boulaacheb, N.; Gortzi, O.; Chinou, I.,
Chemical Composition and Antimicrobial Activity of the Essential Oil of Algherian Phlomis bovei De Noe subsp. bovei,
Molecules, 2007, 12, 4, 772-781, https://doi.org/10.3390/12040772
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Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P.,
Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction,
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Chemat, Lucchesi, et al., 2006
Chemat, F.; Lucchesi, M.E.; Smadja, J.; Favretto, L.; Colnaghi, G.; Visinoni, F.,
Microwave accelerated steam distillation of essential oil from lavender: A rapid, clean and environmentally friendly approach,
Anal. Chim. Acta., 2006, 555, 1, 157-160, https://doi.org/10.1016/j.aca.2005.08.071
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Iriti, Colnaghi, et al., 2006
Iriti, M.; Colnaghi, G.; Chemat, F.; Smadja, J.; Faoro, F.; Visinoni, F.A.,
Histo-cytochemistry and scanning electron microscopy of lavender glandular trichomes following conventional and microwave-assisted hydrodistillation of essential oils: a comparative study,
Flavour Fragr. J., 2006, 21, 4, 704-712, https://doi.org/10.1002/ffj.1692
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Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
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Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L.,
Retention indices as identification tool in pyrolysis-capillary gas chromatography,
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Bagci and Baser, 2005
Bagci, E.; Baser, K.H.C.,
Study of the essential oils of Thymus haussknechtii Velen and Thymus kotschyanus Boiss. et Hohen var. kotschyanus (Lamiaceae) taxa from the eastern Anatolian region in Turkey,
Flavour Fragr. J., 2005, 20, 2, 199-202, https://doi.org/10.1002/ffj.1397
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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
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Sahin, Gulluce, et al., 2004
Sahin, F.; Gulluce, M.; Daferera, D.; Sokmen, A.; Sokmen, M.; Polissiou, M.; Agar, G.; Ozer, H.,
Biological activities of the essential oils and methanol extract of Origanum vulgare ssp. vulgare in the Eastern Anatolia region of Turkey,
Food Control, 2004, 15, 7, 549-557, https://doi.org/10.1016/j.foodcont.2003.08.009
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Begnaud, Pérès, et al., 2003
Begnaud, F.; Pérès, C.; Berdagué, J.-L.,
Characterization of volatile effluents of livestock buildings by solid-phase microextraction,
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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]
Usai, Atzei, et al., 2003
Usai, M.; Atzei, A.; Pintore, G.; Casanova, I.,
Composition and variability of the essential oil of Sardinian Thymus herba-barona Loisel,
Flavour Fragr. J., 2003, 18, 1, 21-25, https://doi.org/10.1002/ffj.1137
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Rapior, Breheret, et al., 2002
Rapior, S.; Breheret, S.; Talou T.; Pelissier, Y.; Bessiere, J.-M.,
The anise-like odor of Clitocybe odora, Lentinellus cochleatus and Agaricus essettei,
Mycologia, 2002, 94, 3, 373-376, https://doi.org/10.2307/3761770
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Spanier, Shahidi, et al., 2001
Spanier, A.M.; Shahidi, F.; Par; iment, T.H.; Mussinan, C.,
Food Flavors and Chemistry. Advances of the New Millenium, Royal Soc. Chem., 2001, 666. [all data]
da Silva, Pedro, et al., 2000
da Silva, J.A.; Pedro, L.G.; Santos, P.A.G.; Figueiredo, A.C.; Barroso, J.G.; Tenreiro, R.P.; Ribeiro, C.A.; Deans, S.G.; Looman, A.; Scheffer, J.J.C.,
Essential oils from seven populations of Juniperus brevifolia (Seub.) Antoine, an endemic species of the Azores,
Flavour Fragr. J., 2000, 15, 1, 31-39, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<31::AID-FFJ862>3.0.CO;2-C
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Estrada and Gutierrez, 1999
Estrada, E.; Gutierrez, Y.,
Modeling chromatographic parameters by a novel graph theoretical sub-structural approach,
J. Chromatogr. A, 1999, 858, 2, 187-199, https://doi.org/10.1016/S0021-9673(99)00808-0
. [all data]
Pedro, da Silva, et al., 1999
Pedro, L.G.; da Silva, J.A.; Barroso, J.G.; Figueiredo, A.C.; Deans, S.G.; Looman, A.; Scheffer, J.J.C.,
Composition of the essential oil fo Chaerophyllum azoricum Trel., an endemic species of the Azores archipelago,
Flavour Fragr. J., 1999, 14, 5, 287-289, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<287::AID-FFJ827>3.0.CO;2-O
. [all data]
Yusuf, Begum, et al., 1998
Yusuf, M.; Begum, J.; Mondello, L.; Stagno d'Alcontres, I.S.,
Studies on the essential oil bearing plants of Bangladesh. Part VI. Composition of the oil of Ocimum gratissimum L.,
Flavour Fragr. J., 1998, 13, 3, 163-166, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<163::AID-FFJ714>3.0.CO;2-1
. [all data]
Lizárraga-Guerra, Guth, et al., 1997
Lizárraga-Guerra, R.; Guth, H.; López, M.G.,
Identification of the most potent odorants in huitlacoche (Ustilago maydis) and austern pilzen (Pleurotus sp.) by aroma extract dilution analysis and static head-space samples,
J. Agric. Food Chem., 1997, 45, 4, 1329-1332, https://doi.org/10.1021/jf960650f
. [all data]
Barroso, Figueiredo, et al., 1996
Barroso, J.G.; Figueiredo, A.C.; Pedro, L.G.; Antunes, T.; Sevinate-Pinto, I.; Fontinha, S.S.; Scheffer, J.J.C.,
Composition of the essential oil of teucrium heterophyllum L'Her. Grown on Madiera,
Flavour Fragr. J., 1996, 11, 2, 129-132, https://doi.org/10.1002/(SICI)1099-1026(199603)11:2<129::AID-FFJ550>3.0.CO;2-Z
. [all data]
Binder and Flath, 1989
Binder, R.G.; Flath, R.A.,
Volatile components of pineapple guava,
J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034
. [all data]
De Pooter and Schamp, 1987
De Pooter, H.L.; Schamp, N.M.,
The Essential Oil of Mentha X villosa nm. alopecuroides,
Flavour Fragr. J., 1987, 2, 4, 163-165, https://doi.org/10.1002/ffj.2730020405
. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [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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