Hexanoic acid, octyl ester
- Formula: C14H28O2
- Molecular weight: 228.3709
- IUPAC Standard InChI: InChI=1S/C14H28O2/c1-3-5-7-8-9-11-13-16-14(15)12-10-6-4-2/h3-13H2,1-2H3
- IUPAC Standard InChIKey: CMNMHJVRZHGAAK-UHFFFAOYSA-N
- CAS Registry Number: 4887-30-3
- 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. - Other names: n-Octyl hexanoate; Octyl hexanoate; Octyl caproate
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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 | CP Sil 5 CB | OV-101 | Ultra-1 | OV-101 | OV-101 |
| Column length (m) | 25. | 52. | 25. | 50. | 50. |
| Carrier gas | He | Helium | He | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.26 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.4 | 0.25 | |||
| Tstart (C) | 60. | 40. | 80. | 40. | 40. |
| Tend (C) | 260. | 200. | 260. | 200. | 200. |
| Heat rate (K/min) | 5. | 3. | 3. | 2. | 5. |
| Initial hold (min) | 40. | 0. | 0. | 0. | |
| Final hold (min) | 0. | 0. | 0. | ||
| I | 1565. | 1572. | 1567. | 1567. | 1575. |
| Reference | Baser, Özek, et al., 2000 | Tkachenko and Zenkevich, 1993 | Okumura, 1991 | Tkachenko and Zenkevich, 1987 | Tkachenko and Zenkevich, 1987 |
| 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.
Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Kürkcüoglu, M.; Aytac, Z.; Duman, H.,
Composition of the essential oils of Zosima absinthifolia (Vent.) Link and Ferula elaeochytris Korovin from Turkey,
Flavour Fragr. J., 2000, 15, 6, 371-372, https://doi.org/10.1002/1099-1026(200011/12)15:6<371::AID-FFJ919>3.0.CO;2-Z
. [all data]
Tkachenko and Zenkevich, 1993
Tkachenko, K.G.; Zenkevich, I.G.,
The Essential Oil of the Flowers of Heracleum antasiaticum Manden, Grown in Russia,
J. Essent. Oil Res., 1993, 5, 2, 227-228. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Tkachenko and Zenkevich, 1987
Tkachenko, K.G.; Zenkevich, I.G.,
Composition of Essential Oils from Fruits of Some Species Heracleum L.,
Rastitel'nye Resursy (Rus.), 1987, 1, 87-91. [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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