Hexanoic acid, 2-propenyl ester
- Formula: C9H16O2
- Molecular weight: 156.2221
- IUPAC Standard InChI: InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
- IUPAC Standard InChIKey: RCSBILYQLVXLJG-UHFFFAOYSA-N
- CAS Registry Number: 123-68-2
- 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: Hexanoic acid, allyl ester; Allyl caproate; Allyl hexanoate; 2-Propenyl hexanoate; 2-Propenyl n-hexanoate; Allylester kyseliny kapronove; Allyl n-hexanoate; Hexanoic acid, 2-propen-1-yl ester
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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 |
|---|---|---|---|
| Active phase | DB-Wax | ZB-Wax | Carbowax 20M |
| Column length (m) | 30. | 30. | 80. |
| Carrier gas | He | Helium | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.32 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Tstart (C) | 30. | 40. | 70. |
| Tend (C) | 210. | 250. | 170. |
| Heat rate (K/min) | 5. | 5. | 2. |
| Initial hold (min) | 2. | ||
| Final hold (min) | 5. | ||
| I | 1371. | 1360. | 1356. |
| Reference | Kumazawa, Itobe, et al., 2008 | N/A | Egolf and Jurs, 1993 |
| Comment | MSDC-RI | MSDC-RI | 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.
Kumazawa, Itobe, et al., 2008
Kumazawa, K.; Itobe, T.; Nishimura, O.; Hamaguchi, T.,
A new approach to estimate the in-mouth release characteristics of odorants in chewing gum,
Food Science and Technology Research, 2008, 14, 3, 269-276, https://doi.org/10.3136/fstr.14.269
. [all data]
Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C.,
Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds,
Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027
. [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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