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
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- Other data available:
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Kovats' 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 | HP-5MS | DB-1 | BP-1 | BP-1 |
Column length (m) | 25. | 30. | 50. | 25. | 25. |
Carrier gas | He | N2 | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.5 | 0.5 |
Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 95. | 60. | 60. |
Tend (C) | 240. | 200. | 240. | 220. | 220. |
Heat rate (K/min) | 3. | 4. | 4. | 5. | 5. |
Initial hold (min) | 1. | ||||
Final hold (min) | 15. | 10. | 10. | ||
I | 996. | 994. | 990. | 985. | 985. |
Reference | Oliveira, Leitao, et al., 2006 | Juliani, Zygadlo, et al., 2004 | Velasco-Negueruela, Sanz, et al., 2004 | Rajeswara Rao, 2002 | Rao B.R.R., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5 | DB-5 | HP-1 | OV-101 |
Column length (m) | 25. | 30. | 30. | 15. | 50. |
Carrier gas | H2 | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.23 |
Phase thickness (μm) | 0.52 | 0.25 | |||
Tstart (C) | 40. | 50. | 60. | 40. | 80. |
Tend (C) | 240. | 250. | 240. | 240. | 200. |
Heat rate (K/min) | 4. | 3. | 3. | 6. | 2. |
Initial hold (min) | 5. | ||||
Final hold (min) | 10. | ||||
I | 993. | 992. | 994. | 1013. | 980. |
Reference | Kitic, Palic, et al., 2001 | Tzakou, Harvala, et al., 2000 | da Silva, Andrade, et al., 1999 | Raharivelomanana, Cambon, et al., 1993 | Ohnishi and Shibamoto, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | OV-101 |
Column length (m) | 50. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.23 |
Phase thickness (μm) | |
Tstart (C) | 80. |
Tend (C) | 200. |
Heat rate (K/min) | 2. |
Initial hold (min) | |
Final hold (min) | |
I | 982. |
Reference | Ohnishi and Shibamoto, 1984 |
Comment | MSDC-RI |
References
Go To: Top, Kovats' 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.
Oliveira, Leitao, et al., 2006
Oliveira, D.R.; Leitao, G.G.; Santos, S.S.; Bizzo, H.R.; Lopes, D.; Alviano, C.S.; Alviano, D.S.; Leitao, S.G.,
Ethnopharmacological study of two Lippia species from Oriximina, Brazil,
J. Ethnopharmacol., 2006, 108, 1, 103-108, https://doi.org/10.1016/j.jep.2006.04.018
. [all data]
Juliani, Zygadlo, et al., 2004
Juliani, H.R.; Zygadlo, J.A.; Scrivanti, R.; de la Sota, E.; Simon, J.E.,
The essential oil of Anemia tomentosa (Savigny) Sw. var. anthriscifolia (Schrad.) Mickel,
Flavour Fragr. J., 2004, 19, 6, 541-543, https://doi.org/10.1002/ffj.1341
. [all data]
Velasco-Negueruela, Sanz, et al., 2004
Velasco-Negueruela, A.; Sanz, J.; Pérez-Alonso, M.J.; Palá-Paúl, J.,
The volatile components of the aerial parts of Melittis melissophyllum L. subsp. melissophyllum gathered in Spain,
Botanica Complutensis, 2004, 28, 133-136. [all data]
Rajeswara Rao, 2002
Rajeswara Rao, B.R.,
Biomass yield, essential oil yield and essential oil composition of rose-scented geranium (Pelargonium species) as influenced by row spacings and intercropping with cornmint (Mentha arvensis L.f. piperascens Malinv. ex Holmes),
Ind. Crops Prod., 2002, 16, 2, 133-144, https://doi.org/10.1016/S0926-6690(02)00038-9
. [all data]
Rao B.R.R., 2002
Rao B.R.R.,
Biomass yield, essential oil yield and essential oil composition of rose-scented geranium (Pelargonium species) as influenced by row spacings and intercropping with cornmint (Mentha arvensis L.f. piperascens Malinv. ex Holmes),
Industrial Crops and Products, 2002, 16, 2, 133-144, https://doi.org/10.1016/S0926-6690(02)00038-9
. [all data]
Kitic, Palic, et al., 2001
Kitic, D.; Palic, R.; Ristic, M.; Sojanovic, G.; Jovanovic, T.,
The volatile constituents of Calamintha sylvatica Bromf. subsp. sylvatica,
Flavour Fragr. J., 2001, 16, 4, 257-258, https://doi.org/10.1002/ffj.995
. [all data]
Tzakou, Harvala, et al., 2000
Tzakou, O.; Harvala, C.; Galati, E.M.; Sanogo, R.,
Essential oil composition of Nepeta argolica Borey et Chaub. subsp. argolica,
Flavour Fragr. J., 2000, 15, 2, 115-118, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<115::AID-FFJ877>3.0.CO;2-9
. [all data]
da Silva, Andrade, et al., 1999
da Silva, M.H.L.; Andrade, E.H.A.; Zoghbi, M.G.B.; Luz, A.I.R.; da Silva, J.D.; Maia, J.G.S.,
The essential oils of Lantana camara L. occurring in North Brazil,
Flavour Fragr. J., 1999, 14, 4, 208-210, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<208::AID-FFJ811>3.0.CO;2-F
. [all data]
Raharivelomanana, Cambon, et al., 1993
Raharivelomanana, P.; Cambon, A.; Azzaro, M.; Bianchini, J.-P.; Claude-Lafontaine, A.; George, G.,
Volatile Constituents of Neocallitropsis pancheri (Carriere) de Laubenfels Heartwood Extracts (Cupressaceae),
J. Essent. Oil Res., 1993, 5, 6, 587-595, https://doi.org/10.1080/10412905.1993.9698289
. [all data]
Ohnishi and Shibamoto, 1984
Ohnishi, S.; Shibamoto, T.,
Volatile compounds from heated beef fat and beef fat with glycine,
J. Agric. Food Chem., 1984, 32, 5, 987-992, https://doi.org/10.1021/jf00125a008
. [all data]
Notes
Go To: Top, Kovats' 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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