Butanoic acid, propyl ester
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChI: InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
- IUPAC Standard InChIKey: HUAZGNHGCJGYNP-UHFFFAOYSA-N
- CAS Registry Number: 105-66-8
- 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. - Isotopologues:
- Other names: Butyric acid, propyl ester; n-Propyl butyrate; n-Propyl n-butyrate; Propyl butanoate; Propyl butyrate; Propyl n-butyrate; n-Butyric acid n-propyl ester; Propylester kyseliny maselne; Propyl ester of butanoic acid; n-Propanol butyrate; propyl bytanoate
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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 |
|---|---|---|---|---|
| Active phase | PEG-20M | DB-Wax | Carbowax 20M | Carbowax 20M |
| Column length (m) | 50. | 60. | 80. | 80. |
| Carrier gas | Nitrogen | |||
| Substrate | ||||
| Column diameter (mm) | 0.20 | 0.25 | 0.2 | 0.2 |
| Phase thickness (μm) | 0.20 | |||
| Tstart (C) | 40. | 40. | 70. | 70. |
| Tend (C) | 180. | 200. | 170. | 170. |
| Heat rate (K/min) | 3. | 2. | 2. | 2. |
| Initial hold (min) | 5. | 10. | ||
| Final hold (min) | 30. | |||
| I | 1127. | 1136. | 1110. | 1110. |
| Reference | Narain, Almeida, et al., 2004 | Tamura, Boonbumrung, et al., 2000 | Egolf and Jurs, 1993 | Anker, Jurs, et al., 1990 |
| Comment | MSDC-RI | 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.
Narain, Almeida, et al., 2004
Narain, N.; Almeida, J.N.; Galvão, M.S.; Madruga, M.S.; de Brito, E.S.,
Volatile compounds in passion fruit (Passiflora edulis forma Flavicarpa) and yellow mombin (Spondias mombin L.) fruits obtained by dynamic headspace technique,
Cienc. Tecnol. Aliment. Campinas, 2004, 24, 2, 212-216, https://doi.org/10.1590/S0101-20612004000200009
. [all data]
Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W.,
Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68
. [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]
Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A.,
Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups,
Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006
. [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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