2-Octanol
- Formula: C8H18O
- Molecular weight: 130.2279
- IUPAC Standard InChIKey: SJWFXCIHNDVPSH-UHFFFAOYSA-N
- CAS Registry Number: 123-96-6
- 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: β-Octyl alcohol; n-Octan-2-ol; sec-Caprylic alcohol; sec-Octyl alcohol; Capryl alcohol; Hexylmethylcarbinol; Methylhexylcarbinol; 1-Methyl-1-heptanol; 1-Methylheptyl alcohol; 2-Octyl alcohol; Octanol-2; 2-Hydroxyoctane; s-Octyl alcohol; Octan-2-ol; 2-Octanol, (.+/-.)-; 1-Methylheptanol; 2-Hydroxy-n-octane; NSC 14759; methylheptanol
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Normal alkane RI, non-polar column, temperature ramp
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 | HP-5 | DB-5 | DB-5 | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | He | Helium | Helium | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.26 | 0.26 | 0.26 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 1. |
Tstart (C) | 60. | 60. | 60. | 60. | 40. |
Tend (C) | 240. | 240. | 290. | 290. | 230. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 6. |
Initial hold (min) | 2. | ||||
Final hold (min) | 15. | ||||
I | 995. | 1002. | 1002. | 1002. | 1004. |
Reference | Bertoli, Lepnardi, et al., 2011 | Bos, Woerdenbag, et al., 2007 | Elfami, Bos, et al., 2007 | Elfami, Komar, et al., 2006 | Fan and Qian, 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 | HP-5MS |
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 |
Tstart (C) | 60. | 50. | 50. | 50. | 60. |
Tend (C) | 260. | 265. | 240. | 240. | 280. |
Heat rate (K/min) | 4. | 2.5 | 4. | 4. | 4. |
Initial hold (min) | 4. | 0.5 | |||
Final hold (min) | |||||
I | 998. | 990. | 1002. | 1010. | 995. |
Reference | Morteza-Semnani, Saeedi, et al., 2006 | Nickavar B., Kamalinejad M., et al., 2006 | Sefidkon, Abbasi, et al., 2006 | Sefidkon, Abbasi, et al., 2006 | Sajjadi S.E. and Eskandari B., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RSL-200 | SE-30 | OV-101 | DB-1 | OV-101 |
Column length (m) | 30. | 30. | 50. | 60. | 50. |
Carrier gas | H2 | N2 | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.28 |
Phase thickness (μm) | 0.25 | 0.25 | |||
Tstart (C) | 40. | 50. | 80. | 80. | 80. |
Tend (C) | 280. | 300. | 200. | 210. | 200. |
Heat rate (K/min) | 6. | 10. | 1. | 3. | 2. |
Initial hold (min) | 2. | ||||
Final hold (min) | 10. | 4. | 20. | ||
I | 984. | 990. | 992. | 987. | 988. |
Reference | Jirovetz, Smith, et al., 2002 | Zhou, Robards, et al., 2000 | Menon, Chacko, et al., 1999 | Nishimura, 1995 | Anker, Jurs, et al., 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Packed |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | OV-101 | SE-30 | Apiezon L |
Column length (m) | 50. | 50. | 50. | 50. | 2. |
Carrier gas | He | He | |||
Substrate | Chromosorb G-AW-DMCS | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.31 | 0.5 | |
Phase thickness (μm) | |||||
Tstart (C) | 0. | 50. | 0. | 40. | 25. |
Tend (C) | 250. | 250. | 225. | 170. | |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 10. |
Initial hold (min) | 1. | 3. | |||
Final hold (min) | |||||
I | 983. | 982. | 988. | 994. | 1002. |
Reference | Habu, Flath, et al., 1985 | Habu, Flath, et al., 1985 | del Rosario, de Lumen, et al., 1984 | Heydanek and McGorrin, 1981 | Dahlmann, Köser, et al., 1979 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bertoli, Lepnardi, et al., 2011
Bertoli, A.; Lepnardi, M.; Krzyzanowska, J.; Oleszek, W.; Pistelli, L.,
Mentha longifolia in vitro cultures as safe source of flavouring ingradients,
Acta Biochem. Polonica, 2011, 58, 4, 581-587. [all data]
Bos, Woerdenbag, et al., 2007
Bos, R.; Woerdenbag, H.J.; Kayser, O.; Quax, W.J.; Ruslan, K.; Elfami,
Essential oil constituents of Piper cubeba L. fils. from Indonesia,
J. Essent. Oil Res., 2007, 19, 1, 14-17, https://doi.org/10.1080/10412905.2007.9699217
. [all data]
Elfami, Bos, et al., 2007
Elfami; Bos, R.; Ruslan, K.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J.,
Essential Oil Constituents of Piper cubeba from Indonesia, 2007, 53-60. [all data]
Elfami, Komar, et al., 2006
Elfami, R.B.; Komar, R.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J.,
Essential oil constituents of Piper cubeba from Indonesia, 2006, retrieved from http://dissertations.ub.rug.nl/FILES/facultiew/science/2006/elfahmi/05c5.pdf. [all data]
Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry,
Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621
. [all data]
Morteza-Semnani, Saeedi, et al., 2006
Morteza-Semnani, K.; Saeedi, M.; Akbarsadeh, M.; Moshiri, K.,
The essential oil composition of Onosma microcarpum DC.,
Flavour Fragr. J., 2006, 21, 2, 314-316, https://doi.org/10.1002/ffj.1597
. [all data]
Nickavar B., Kamalinejad M., et al., 2006
Nickavar B.; Kamalinejad M.; Mohandesi S.,
Comparison of the components of the essential oils from leaves and fruits of Grammosciadium platycarpum,
Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 6, 686-688, https://doi.org/10.1007/s10600-006-0252-x
. [all data]
Sefidkon, Abbasi, et al., 2006
Sefidkon, F.; Abbasi, K.; Bakhshi Khaniki, G.,
Influence of drying and extraction methods on yield and chemical composition of the essential oil of Satureja hortensis,
Food Chem., 2006, 99, 1, 19-23, https://doi.org/10.1016/j.foodchem.2005.07.026
. [all data]
Sajjadi S.E. and Eskandari B., 2005
Sajjadi S.E.; Eskandari B.,
Chemical constituents of the essential oil of Nepeta oxyodonta,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 2, 175-177, https://doi.org/10.1007/s10600-005-0106-y
. [all data]
Jirovetz, Smith, et al., 2002
Jirovetz, L.; Smith, D.; Buchbauer, G.,
Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry,
J. Agric. Food Chem., 2002, 50, 16, 4643-4646, https://doi.org/10.1021/jf020129n
. [all data]
Zhou, Robards, et al., 2000
Zhou, M.; Robards, K.; Glennie-Holmes, M.; Helliwell, S.,
Contribution of volatiles to the flavour of oatmeal,
J. Sci. Food Agric., 2000, 80, 2, 247-254, https://doi.org/10.1002/(SICI)1097-0010(20000115)80:2<247::AID-JSFA525>3.0.CO;2-0
. [all data]
Menon, Chacko, et al., 1999
Menon, A.N.; Chacko, S.; Narayanan, C.S.,
Free and glycosidically bound volatiles of cardamom (Eletteria cardamomum Maton var. miniscula Burkill),
Flavour Fragr. J., 1999, 14, 1, 65-68, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<65::AID-FFJ789>3.0.CO;2-A
. [all data]
Nishimura, 1995
Nishimura, O.,
Identification of the characteristic odorants in fresh rhizomes of ginger (Zingiber officinale Roscoe) using aroma extract dilution analysis and modified multidimensional gas chromatography-mass spectroscopy,
J. Agric. Food Chem., 1995, 43, 11, 2941-2945, https://doi.org/10.1021/jf00059a031
. [all data]
Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A.,
Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups,
Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006
. [all data]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [all data]
del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R.,
Comparison of headspace volatiles from winged beans and soybeans,
J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015
. [all data]
Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J.,
Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats,
J. Agric. Food Chem., 1981, 29, 5, 950-954, https://doi.org/10.1021/jf00107a016
. [all data]
Dahlmann, Köser, et al., 1979
Dahlmann, G.; Köser, H.J.K.; Oelert, H.H.,
Multiple korrelation von retentionsindizes,
Chromatographia, 1979, 12, 10, 665-671, https://doi.org/10.1007/BF02302943
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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