3-Octanol
- Formula: C8H18O
- Molecular weight: 130.2279
- IUPAC Standard InChI: InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
- 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
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- Other data available:
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Normal alkane RI, 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 | AT-Wax | ZB-Wax | DB-Wax | HP-Innowax | Stabilwax |
| Column length (m) | 60. | 60. | 30. | 30. | 60. |
| Carrier gas | Helium | Hydrogen | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.53 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 1.0 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 50. | 40. |
| Tend (C) | 280. | 200. | 250. | 250. | 240. |
| Heat rate (K/min) | 4. | 8. | 10. | 6.5 | 3. |
| Initial hold (min) | 2. | 1.5 | 5. | ||
| Final hold (min) | 10. | 10. | 10. | ||
| I | 1368. | 1408. | 1384. | 1380. | 1383. |
| Reference | Kiss, Csoka, et al., 2011 | Zawirska-Wojtasiak, Siwulski, et al., 2009 | Guo, Wu, et al., 2008 | Thakeow, Angeli, et al., 2008 | Cros, Vandanjon, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Supelcowax-10 | SW-10 | Stabilwax | HP-20M |
| Column length (m) | 30. | 30. | 50. | 60. | 50. |
| Carrier gas | He | He | He | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.20 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
| Tstart (C) | 50. | 50. | 50. | 40. | 70. |
| Tend (C) | 180. | 220. | 230. | 240. | 180. |
| Heat rate (K/min) | 3. | 4. | 2. | 3. | 4. |
| Initial hold (min) | 3. | 5. | 4. | ||
| Final hold (min) | 40. | 30. | 10. | 10. | |
| I | 1393. | 1391. | 1375. | 1383. | 1357. |
| Reference | Lee, Umano, et al., 2005 | Wong and Tan, 2005 | Raal, Paaver, et al., 2004 | Cros, Vandanjon, et al., 2003 | Juteau, Jerkovic, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | TC-Wax | SW-10 | DB-Wax | PEG-20M | Carbowax 20M |
| Column length (m) | 60. | 50. | 30. | 50. | 50. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.20 | 0.25 | 0.2 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 80. | 50. | 40. | 70. | 60. |
| Tend (C) | 250. | 250. | 250. | 250. | 220. |
| Heat rate (K/min) | 4. | 2. | 8. | 2. | 2. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 30. | 5. | |||
| I | 1411. | 1395. | 1396. | 1395. | 1364. |
| Reference | Miyazawa and Okuno, 2003 | Raal, Arak, et al., 2003 | Fu, Yoon, et al., 2002 | Orav, Kailas, et al., 2001 | Vernin, Lageot, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | DB-Wax | DB-Wax | CP-Wax 52CB | Innowax |
| Column length (m) | 60. | 30. | 60. | 50. | 60. |
| Carrier gas | He | He | He | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.22 | 0.25 |
| Tstart (C) | 60. | 50. | 40. | 60. | 60. |
| Tend (C) | 280. | 180. | 200. | 190. | 220. |
| Heat rate (K/min) | 4. | 3. | 2. | 2. | |
| Initial hold (min) | 2. | 4. | 10. | ||
| Final hold (min) | 40. | 21. | |||
| I | 1391. | 1379. | 1397. | 1380. | 1398. |
| Reference | Korány, Mednyánszky, et al., 2000 | Lee and Shibamoto, 2000 | Umano, Hagi, et al., 2000 | Hwan and Chou, 1999 | Kaya, Baser, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | HP-Innowax | HP-Innowax | DB-Wax | BP-20 |
| Column length (m) | 60. | 60. | 60. | 60. | 25. |
| Carrier gas | He | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 220. | 220. | 220. | 240. | 200. |
| Heat rate (K/min) | 4. | 5. | |||
| Initial hold (min) | 10. | 10. | 10. | ||
| Final hold (min) | |||||
| I | 1398. | 1398. | 1398. | 1389. | 1382. |
| Reference | Kaya, Baser, et al., 1999, 2 | Kaya, Baser, et al., 1999, 2 | Kaya, Baser, et al., 1999, 2 | Ngassoum, Yonkeu, et al., 1999 | Rao, Bhattacharya, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | TC-Wax | DB-Wax | Carbowax 20M | Carbowax 20M | Carbowax 20M |
| Column length (m) | 60. | 60. | 50. | 25. | 150. |
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.30 | 0.64 |
| Phase thickness (μm) | |||||
| Tstart (C) | 80. | 50. | 80. | 40. | 50. |
| Tend (C) | 240. | 250. | 200. | 220. | 170. |
| Heat rate (K/min) | 3. | 4. | 2. | 2. | 1. |
| Initial hold (min) | 5. | 0.1 | 5. | 10. | |
| Final hold (min) | 5. | 60. | |||
| I | 1388. | 1390. | 1405. | 1395. | 1400. |
| Reference | Shuichi, Masazumi, et al., 1996 | Binder and Flath, 1989 | Shibamoto, 1987 | Nykanen, 1986 | Seifert and King, 1982 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Carbowax 20M |
| Column length (m) | 150. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.64 |
| Phase thickness (μm) | |
| Tstart (C) | 50. |
| Tend (C) | 170. |
| Heat rate (K/min) | 1. |
| Initial hold (min) | 30. |
| Final hold (min) | |
| I | 1390. |
| Reference | Buttery and Kamm, 1980 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K.,
Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary,
J. Appl. Botany Food Quality, 2011, 84, 102-110. [all data]
Zawirska-Wojtasiak, Siwulski, et al., 2009
Zawirska-Wojtasiak, R.; Siwulski, M.; Mildner-Szkudlarz, S.; Wasowicz, E.,
Studies of the aroma of different species and strains of Pleurotus measured by GC-MS, sensory analysis and electronic nose,
Acta Sci. Pol. Technol. Aliment., 2009, 8, 1, 47-61. [all data]
Guo, Wu, et al., 2008
Guo, L.; Wu, J.-Z.; Han, T.; Cao, T.; Rahman, K.; Qin, L.-P.,
Chemical composition, antifungal and antitumor properties of ether extracts of Scapania verrucosa Heeg. and its endophytic fungus Chaetomium fusiforme,
Molecules, 2008, 13, 9, 2114-2125, https://doi.org/10.3390/molecules13092114
. [all data]
Thakeow, Angeli, et al., 2008
Thakeow, P.; Angeli, S.; Weissbecker, B.; Schutz, S.,
Antennal and behavioral responses of Cis boleti to fungal odor of Trametes gibbosa,
Chem. Senses, 2008, 33, 4, 379-387, https://doi.org/10.1093/chemse/bjn005
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Cros, Vandanjon, et al., 2007
Cros, S.; Vandanjon, L.; Jaouen, P.; Bourseau, P.,
Processing of Industrial Mussel Cooking Juices by Reverse Osmotis: Pollution Abatement and Aromas Recovery, 2007, retrieved from title of Internet file: [imstec064]. [all data]
Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G.,
Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties,
Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056
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Wong and Tan, 2005
Wong, K.C.; Tan, C.H.,
Volatile constituents of the flowers of Clerodendron fragrans (Vent.) R. Br.,
Flavour Fragr. J., 2005, 20, 4, 429-430, https://doi.org/10.1002/ffj.1457
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Raal, Paaver, et al., 2004
Raal, A.; Paaver, U.; Arak, E.; Orav, A.,
Content and composition of the essential oil of Thymus serpyllum L. growing wild in Estonia,
Medicina (Kaunas), 2004, 40, 8, 795-800. [all data]
Cros, Vandanjon, et al., 2003
Cros, S.; Vandanjon, L.; Jaouen, P.; Bourseau, P.,
IMSTEC'03 Conference Proceedings, Processing of industrial mussel cooking juices by reverse osmosis: pollution abatement and aromas recovery, Universoty of New South Wales, Sydney, Australia, 2003, 6. [all data]
Juteau, Jerkovic, et al., 2003
Juteau, F.; Jerkovic, I.; Masotti, V.; Milos, M.; Mastelic, J.; Bessière, J.-M.; Viano, J.,
Composition and antimicrobial activity of the essential oil of Artemisia absinthium from Croatia and France,
Planta Medica, 2003, 69, 2, 158-161, https://doi.org/10.1055/s-2003-37714
. [all data]
Miyazawa and Okuno, 2003
Miyazawa, M.; Okuno, Y.,
Volatile components from the roots of Scrophularia ningpoensis Hemsl.,
Flavour Fragr. J., 2003, 18, 5, 398-400, https://doi.org/10.1002/ffj.1232
. [all data]
Raal, Arak, et al., 2003
Raal, A.; Arak, E.; Orav, A.; Ivask, K.,
Comparison of essential oil content of Matricaria recutita L. from different origins,
Ars Pharm., 2003, 44, 2, 159-165, retrieved from http://www.ugr.es/~ars/abstract/44-159-03.pdf. [all data]
Fu, Yoon, et al., 2002
Fu, S.-G.; Yoon, Y.; Basemore, R.,
Aroma-actie components in fermented bamboo shoots,
J. Agric. Food Chem., 2002, 50, 3, 549-554, https://doi.org/10.1021/jf010883t
. [all data]
Orav, Kailas, et al., 2001
Orav, A.; Kailas, T.; Ivask, K.,
Volatile constituents of Matricaria recutita L. from Estonia,
Proc. Est. Acad. Sci. Chem., 2001, 50, 39-45. [all data]
Vernin, Lageot, et al., 2001
Vernin, G.; Lageot, C.; Gaydou, E.M.; Parkanyi, C.,
Analysis of the essential oil of Lippia graveolens HBK from El Salvador,
Flavour Fragr. J., 2001, 16, 3, 219-226, https://doi.org/10.1002/ffj.984
. [all data]
Korány, Mednyánszky, et al., 2000
Korány, K.; Mednyánszky, Zs.; Amtmann, M.,
Preliminary results of a recognition method visualizing the aroma and fragrance features,
Acta Aliment., 2000, 29, 2, 187-198, https://doi.org/10.1556/AAlim.29.2000.2.9
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Lee and Shibamoto, 2000
Lee, K.-G.; Shibamoto, T.,
Antioxidant properties of aroma compounds isolated from soybeans and mung beans,
J. Agric. Food Chem., 2000, 48, 9, 4290-4293, https://doi.org/10.1021/jf000442u
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Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.),
J. Agric. Food Chem., 2000, 48, 8, 3463-3469, https://doi.org/10.1021/jf0001738
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Hwan and Chou, 1999
Hwan, C.-H.; Chou, C.-C.,
Volatile components of the Chinese fermented soya bean curd as affected by the addition of ethanol in ageing solution,
J. Sci. Food Agric., 1999, 79, 2, 243-248, https://doi.org/10.1002/(SICI)1097-0010(199902)79:2<243::AID-JSFA179>3.0.CO;2-I
. [all data]
Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F.,
The essential oil of Acinos alpinus (L.) Moench growing in Turkey,
Flavour Fragr. J., 1999, 14, 1, 55-59, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q
. [all data]
Kaya, Baser, et al., 1999, 2
Kaya, A.; Baser, K.H.C.; Tümen, G.; Koca, F.,
The essential oil of Acinos suaveolens (Sm.) G. Don fil. Acinos arvensis (Lam.) Dandy and Acinos rotundifolius Pers. growing wild in Turkey,
Flavour Fragr. J., 1999, 14, 1, 60-64, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<60::AID-FFJ785>3.0.CO;2-0
. [all data]
Ngassoum, Yonkeu, et al., 1999
Ngassoum, M.B.; Yonkeu, S.; Jirovetz, L.; Buchbauer, G.; Schmaus, G.; Hammerschmidt, F.-J.H.,
Chemical composition of essential oils of Lantana camara leaves and flowers from Cameroon and Madagascar,
Flavour Fragr. J., 1999, 14, 4, 245-250, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<245::AID-FFJ819>3.0.CO;2-X
. [all data]
Rao, Bhattacharya, et al., 1999
Rao, B.R.R.; Bhattacharya, A.K.; Mallavarapu, G.R.; Ramesh, S.,
Volatile constituents of different parts of cornmint (Mentha arvensis L.),
Flavour Fragr. J., 1999, 14, 5, 262-264, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<262::AID-FFJ766>3.0.CO;2-6
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Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [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
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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]
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
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Seifert and King, 1982
Seifert, R.M.; King, A.D., Jr.,
Identification of some volatile constituents of Aspergillus clavatus,
J. Agric. Food Chem., 1982, 30, 4, 786-790, https://doi.org/10.1021/jf00112a044
. [all data]
Buttery and Kamm, 1980
Buttery, R.G.; Kamm, J.A.,
Volatile components of alfalfa: possible insect host plant attractants,
J. Agric. Food Chem., 1980, 28, 5, 978-981, https://doi.org/10.1021/jf60231a014
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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