Butanoic acid, pentyl ester
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChI: InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
- IUPAC Standard InChIKey: CFNJLPHOBMVMNS-UHFFFAOYSA-N
- CAS Registry Number: 540-18-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Butyric acid, pentyl ester; n-Amyl butyrate; n-Pentyl n-butyrate; Amyl butyrate; Pentyl butanoate; Pentyl butyrate; 1-Pentyl butyrate; n-Pentyl butanoate; UN 2620; n-Amyl n-butyrate; Amyl butanoate; n-Pentyl butyrate
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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 | DB-5 | HP-5 MS | HP-5 MS | HP-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 100. | 50. | 35. | 40. |
| Tend (C) | 240. | 220. | 230. | 200. | 250. |
| Heat rate (K/min) | 3. | 2. | 4. | 3. | 4. |
| Initial hold (min) | 4. | 5. | 2. | ||
| Final hold (min) | 10. | 5. | |||
| I | 1092. | 1095. | 1091. | 1093. | 1059. |
| Reference | Fraternale, Ricci, et al., 2011 | Pripdeevech, Chumpolsri, et al., 2010 | Forero, Quijano, et al., 2008 | Isidorov, Purzynska, et al., 2006 | Fan and Qian, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Methyl Silicone | OV-101 |
| Column length (m) | 12.5 | 50. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 50. | 80. |
| Tend (C) | 270. | 200. |
| Heat rate (K/min) | 4. | 2. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1055. | 1078. |
| Reference | Ricci, Fraternale, et al., 2005 | Egolf and Jurs, 1993 |
| Comment | 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.
Fraternale, Ricci, et al., 2011
Fraternale, D.; Ricci, D.; Flamini, G.; Giomaro, G.,
Volatile profile of red apple from Marche region (Italy),
Rec. Nat. Prod., 2011, 5, 3, 202-207. [all data]
Pripdeevech, Chumpolsri, et al., 2010
Pripdeevech, P.; Chumpolsri, W.; Suttiarporn, P.; Wongpornchai, S.,
The chemical composition and antioxidant activities of Basil from Thailand using retention indices and comprehensive two-dimensional gas chromatography,
J. Seb. Chem. Soc., 2010, 75, 11, 1503-1513, https://doi.org/10.2298/JSC100203125P
. [all data]
Forero, Quijano, et al., 2008
Forero, M.D.; Quijano, C.E.; Pino, J.A.,
Volatile compounds of Chile pepper (Capsicum annuum L. var. glabriusculum) at two ripening stages,
Flavour Fragr. J., 2008, 24, 1, 25-30, https://doi.org/10.1002/ffj.1913
. [all data]
Isidorov, Purzynska, et al., 2006
Isidorov, V.; Purzynska, A.; Modzelewska, A.; Serowiecka, M.,
Distribution coefficients of aliphatic alcohols, carbonyl compounds and esters between air and Carboxen/polydimethylsiloxane fiber coating,
Anal. Chim. Acta., 2006, 560, 1-2, 103-109, https://doi.org/10.1016/j.aca.2005.12.043
. [all data]
Fan and Qian, 2005
Fan, W.; Qian, M.C.,
Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors,
J. Agric. Food Chem., 2005, 53, 20, 7931-7938, https://doi.org/10.1021/jf051011k
. [all data]
Ricci, Fraternale, et al., 2005
Ricci, D.; Fraternale, D.; Giamperi, L.; Bucchini, A.; Epifano, F.; Burini, G.; Curini, M.,
Chemical composition, antimicrobial and antioxidant activity of the essential oil of Teucrium marum (Lamiaceae),
J. Ethnopharmacol., 2005, 98, 1-2, 195-200, https://doi.org/10.1016/j.jep.2005.01.022
. [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, 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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