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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Van Den Dool and Kratz 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 | DB-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 60. | 60. | 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 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 40. | 40. |
| Tend (C) | 200. | 200. | 200. | 200. | 200. |
| Heat rate (K/min) | 4. | 4. | 4. | 4. | 4. |
| Initial hold (min) | 1. | 1. | 1. | 1. | 1. |
| Final hold (min) | 10. | 10. | 10. | 10. | 10. |
| I | 1396. | 1394. | 1394. | 1396. | 1400. |
| Reference | Cho, Namgung, et al., 2008 | Cho, Namgung, et al., 2008 | Cho I.H., Lee S.M., et al., 2007 | Cho, Choi, et al., 2006 | Cho, Choi, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | FFAP | Stabilwax | ZB-Wax | HP-Wax |
| Column length (m) | 60. | 20. | 60. | 30. | 30. |
| Carrier gas | He | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 90. | 40. | 40. | 60. |
| Tend (C) | 200. | 220. | 240. | 250. | 220. |
| Heat rate (K/min) | 4. | 4. | 3. | 5. | 5. |
| Initial hold (min) | 1. | 2. | 5. | 2. | 10. |
| Final hold (min) | 10. | 10. | 5. | ||
| I | 1394. | 1423. | 1383. | 1389. | 1395. |
| Reference | Cho, Kim, et al., 2006 | Agnihotri, Agarwal, et al., 2005 | Cros, Lignot, et al., 2005 | Wu, Zorn, et al., 2005 | Flamini, Luigi Cioni, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | ZB-Wax | HP-Wax | Stabilwax | DB-Wax | RTX-Wax |
| Column length (m) | 30. | 30. | 60. | 60. | 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) | 0.15 | 0.25 | 0.25 | 0.5 | 0.25 |
| Tstart (C) | 35. | 60. | 40. | 67. | 45. |
| Tend (C) | 220. | 220. | 240. | 235. | 250. |
| Heat rate (K/min) | 1.8 | 5. | 3. | 2.7 | 3. |
| Initial hold (min) | 10. | 10. | 5. | 6. | |
| Final hold (min) | 10. | 10. | 30. | 10. | |
| I | 1392. | 1395. | 1383. | 1427. | 1384. |
| Reference | Ledauphin, Saint-Clair, et al., 2004 | Bader, Caponi, et al., 2003 | Cros, Vandanjon, et al., 2003 | Claudela, Dirningera, et al., 2002 | Mondello, Zappia, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-Wax | RTX-Wax | AT-Wax | BP-20 | DB-Wax |
| Column length (m) | 30. | 30. | 60. | 50. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 45. | 45. | 65. | 60. | 40. |
| Tend (C) | 250. | 250. | 250. | 220. | 200. |
| Heat rate (K/min) | 3. | 3. | 2. | 2. | 2. |
| Initial hold (min) | 6. | 6. | 10. | 5. | |
| Final hold (min) | 60. | 20. | 20. | ||
| I | 1387. | 1398. | 1380. | 1381. | 1397. |
| Reference | Shellie, Mondello, et al., 2002 | Shellie, Mondello, et al., 2002 | Pino and Marbot, 2001 | Baldovini, Ristorcelli, et al., 2000 | Kim, Thuy, et al., 2000 |
| 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 | DB-Wax | DB-Wax |
| Column length (m) | 60. | 60. | 60. | 30. | 30. |
| Carrier gas | He | He | N2 | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.53 | 0.53 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 35. | 35. | 40. | 40. | 50. |
| Tend (C) | 195. | 220. | 200. | 200. | 200. |
| Heat rate (K/min) | 2. | 3. | 2. | 2. | 2. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 90. | 40. | |||
| I | 1395. | 1400. | 1406. | 1406. | 1406. |
| Reference | Chung, 1999 | Brophy, Forster, et al., 1998 | Mau, Lin, et al., 1998 | Mau, Chyau, et al., 1997 | Mau and Hwang, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-Wax | HP-20M | HP-FFAP |
| Column length (m) | 30. | 50. | 50. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | ||
| Tstart (C) | 50. | 60. | 60. |
| Tend (C) | 230. | 190. | 210. |
| Heat rate (K/min) | 2. | 3. | 3. |
| Initial hold (min) | |||
| Final hold (min) | |||
| I | 1404. | 1368. | 1400. |
| Reference | Coen, Engel, et al., 1995 | Chung, Eiserich, et al., 1993 | Chung, Eiserich, et al., 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Cho, Namgung, et al., 2008
Cho, I.H.; Namgung, H.-J.; Choi, H.-K.; Kim, Y.-S.,
Volatiles and key odorants in the pileus and stipe of pine-mushroom (Tricholoma matsutake Sing.),
Food Chem., 2008, 106, 1, 71-76, https://doi.org/10.1016/j.foodchem.2007.05.047
. [all data]
Cho I.H., Lee S.M., et al., 2007
Cho I.H.; Lee S.M.; Kim S.Y.; Choi H.K.; Kim K.O.; Kim Y.S.,
Differentiation of aroma characteristics of pine-mushrooms (Tricholoma matsutake Sing.) of different grades using gas chromatography-olfactometry and sensory analysis,
J. Agric. Food Chem., 2007, 55, 6, 2323-2328, https://doi.org/10.1021/jf062702z
. [all data]
Cho, Choi, et al., 2006
Cho, I.H.; Choi, H.-K.; Kim, Y.-S.,
Difference in the volatile composition of pine-mushrooms (Tricholoma matsutake Sing.) according to their grades,
J. Agric. Food Chem., 2006, 54, 13, 4820-4825, https://doi.org/10.1021/jf0601416
. [all data]
Cho, Kim, et al., 2006
Cho, I.H.; Kim, S.Y.; Choi, H.-K.; Kim, Y.-S.,
Characterization of Aroma-Active Compounds in Raw and Cooked Pine-Mushrooms (Tricholoma matsutake Sing.),
J. Agric. Food Chem., 2006, 54, 17, 6332-6335, https://doi.org/10.1021/jf060824l
. [all data]
Agnihotri, Agarwal, et al., 2005
Agnihotri, V.K.; Agarwal, S.G.; Dhar, P.L.; Thappa, R.K.; Baleshwar; Kapahi, B.K.; Saxena, R.K.; Qazi, G.N.,
Essential oil composition of Mentha pulegium L. growing wild in the north-western Himalayas India,
Flavour Fragr. J., 2005, 20, 6, 607-610, https://doi.org/10.1002/ffj.1497
. [all data]
Cros, Lignot, et al., 2005
Cros, S.; Lignot, B.; Bourseau, P.; Jaouen, P.; Prost, C.,
Desalination of mussel cooking juices by electrodialysis: effect on the aroma profile,
J. Food Eng., 2005, 69, 4, 425-436, https://doi.org/10.1016/j.jfoodeng.2004.08.036
. [all data]
Wu, Zorn, et al., 2005
Wu, S.; Zorn, H.; Krings, U.; Berger, R.G.,
Characteristic Volatiles from Young and Aged Fruiting Bodies of Wild Polyporus sulfureus (Bull.:Fr.) Fr.,
J. Agric. Food Chem., 2005, 53, 11, 4524-4528, https://doi.org/10.1021/jf0478511
. [all data]
Flamini, Luigi Cioni, et al., 2004
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Essential oils of Galeopsis pubescens and G. tetrahit from Tuscany (Italy),
Flavour Fragr. J., 2004, 19, 4, 327-329, https://doi.org/10.1002/ffj.1307
. [all data]
Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y
. [all data]
Bader, Caponi, et al., 2003
Bader, A.; Caponi, C.; Cioni, P.L.; Flamini, G.; Morelli, I.,
Composition of the essential oil of Ballota undulata, B. nigra ssp. foetida and B. saxatilis,
Flavour Fragr. J., 2003, 18, 6, 502-504, https://doi.org/10.1002/ffj.1257
. [all data]
Cros, Vandanjon, et al., 2003
Cros, S.; Vandanjon, L.; Jaouen, P.; Bourseau, P.,
Processing of industrial mussel cooking juices by reverse osmosis: pollution abatement and aromas recovery, 2003, retrieved from http://www.membrane.unsw.edu.au/imstec03/content/papers/DAI/imstec064.pdf. [all data]
Claudela, Dirningera, et al., 2002
Claudela, P.; Dirningera, N.; Etievant, P.,
Effects of water on gas chromatographic column efficiency measurements applied to on-column injections of volatile aroma compounds,
J. Sep. Sci., 2002, 25, 5-6, 365-370, https://doi.org/10.1002/1615-9314(20020401)25:5/6<365::AID-JSSC365>3.0.CO;2-Y
. [all data]
Mondello, Zappia, et al., 2002
Mondello, L.; Zappia, G.; Cotroneo, A.; Bonaccorsi, I.; Chowdhury, J.U.; Yusuf, M.; Dugo, G.,
Studies on the essential oil-bearing plants of Bangladesh. Part VIII. Composition of some Ocimum oils O. basilicum L. var. purpurascens; O. sanctum L. green; O. sanctum L. purple; O. americanum L., citral type; O. americanum L., camphor type,
Flavour Fragr. J., 2002, 17, 5, 335-340, https://doi.org/10.1002/ffj.1108
. [all data]
Shellie, Mondello, et al., 2002
Shellie, R.; Mondello, L.; Marriott, P.; Dugo, G.,
Characterisation of lavender essential oils by using gas chromatography-mass spectrometry with correlation of linear retention indices and comparison with comprehensive two-dimensional gas chromatography,
J. Chromatogr. A, 2002, 970, 1-2, 225-234, https://doi.org/10.1016/S0021-9673(02)00653-2
. [all data]
Pino and Marbot, 2001
Pino, J.A.; Marbot, R.,
Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g
. [all data]
Baldovini, Ristorcelli, et al., 2000
Baldovini, N.; Ristorcelli, D.; Tomi, F.; Casanova, J.,
Infraspecific variability of the essential oil of Calamintha nepeta from Corsica (France),
Flavour Fragr. J., 2000, 15, 1, 50-54, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<50::AID-FFJ871>3.0.CO;2-F
. [all data]
Kim, Thuy, et al., 2000
Kim, T.H.; Thuy, N.T.; Shin, J.H.; Baek, H.H.; Lee, H.J.,
Aroma-active compounds of miniature beefsteakplant (Mosla dianthera Maxim.),
J. Agric. Food Chem., 2000, 48, 7, 2877-2881, https://doi.org/10.1021/jf000219x
. [all data]
Chung, 1999
Chung, H.Y.,
Volatile components in fermented soybean (Glycine max) curds,
J. Agric. Food Chem., 1999, 47, 7, 2690-2696, https://doi.org/10.1021/jf981166a
. [all data]
Brophy, Forster, et al., 1998
Brophy, J.J.; Forster, P.I.; Goldsack, R.J.,
Esssential oils of some Australian monimiaceae,
Flavour Fragr. J., 1998, 13, 4, 273-276, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<273::AID-FFJ745>3.0.CO;2-O
. [all data]
Mau, Lin, et al., 1998
Mau, J.-L.; Lin, Y.-P.; Chen, P.-T.; Wu, Y.-H.; Peng, J.-T.,
Flavor compounds in king oyster mushrooms Pleurotus eryngii,
J. Agric. Food Chem., 1998, 46, 11, 4587-4591, https://doi.org/10.1021/jf980508+
. [all data]
Mau, Chyau, et al., 1997
Mau, J.-L.; Chyau, C.-C.; Li, J.-Y.; Tseng, Y.-H.,
Flavor compounds in straw mushrooms Volvariella volvacea harvested at different stages of maturity,
J. Agric. Food Chem., 1997, 45, 12, 4726-4729, https://doi.org/10.1021/jf9703314
. [all data]
Mau and Hwang, 1997
Mau, J.-L.; Hwang, S.-J.,
Effect of γ-irradiation on flavor compounds of fresh mushrooms,
J. Agric. Food Chem., 1997, 45, 5, 1849-1852, https://doi.org/10.1021/jf960560a
. [all data]
Coen, Engel, et al., 1995
Coen, M.; Engel, R.; Nahrstedt, A.,
Chavicol β-D-glucoside, a phenylpropanoid heteroside, benzyl-β-D-glucoside and glycosidically bound volatiles from subspecies of Cedronella canariensis,
Phytochemistry, 1995, 40, 1, 149-155, https://doi.org/10.1016/0031-9422(95)00241-X
. [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]
Notes
Go To: Top, Van Den Dool and Kratz 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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