Propanoic acid, 2-methyl-, pentyl ester
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChI: InChI=1S/C9H18O2/c1-4-5-6-7-11-9(10)8(2)3/h8H,4-7H2,1-3H3
- IUPAC Standard InChIKey: UYGGIIOLYXRSQY-UHFFFAOYSA-N
- CAS Registry Number: 2445-72-9
- 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: Isobutyric acid, pentyl ester; Amyl isobutyrate; Pentyl isobutyrate; 1-Pentyl isobutyrate; N-Amyl iso-butyrate; n-Pentyl isobutyrate; Pentyl isobutanoate; Pentyl 2-methylpropanoate; Penthyl iso-butyrate
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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 | HP-5 MS | DB-1 | HP-5MS | DB-5MS | DB-5MS |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | Helium | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 60. | 60. | 60. |
| Tend (C) | 230. | 270. | 275. | 280. | 280. |
| Heat rate (K/min) | 4. | 4. | 4. | 3. | 3. |
| Initial hold (min) | 4. | ||||
| Final hold (min) | 10. | ||||
| I | 1056. | 1012. | 1056. | 1054. | 1054. |
| Reference | Forero, Quijano, et al., 2008 | Nik, Mirza, et al., 2004 | Afsharypuor and Jahromy, 2003 | Congiu, Falconieri, et al., 2002 | Congiu, Falconieri, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | CP Sil 5 CB | OV-101 |
| Column length (m) | 25. | 50. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.28 |
| Phase thickness (μm) | ||
| Tstart (C) | 50. | 80. |
| Tend (C) | 230. | 200. |
| Heat rate (K/min) | 3. | 2. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1009. | 1035. |
| Reference | Oyedeji, Olawore, et al., 1999 | Anker, Jurs, et al., 1990 |
| 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.
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]
Nik, Mirza, et al., 2004
Nik, Z.B.; Mirza, M.; Shahmir, F.,
Essential oil of Marrubium cuneatum Russell and its secretory elements,
Flavour Fragr. J., 2004, 19, 3, 233-235, https://doi.org/10.1002/ffj.1293
. [all data]
Afsharypuor and Jahromy, 2003
Afsharypuor, S.; Jahromy, M.M.,
Constituents of the essential oil from Tanacetum lingulatum (Boiss.) Bornm.,
J. Essent. Oil Res., 2003, 15, 2, 74-76, https://doi.org/10.1080/10412905.2003.9712069
. [all data]
Congiu, Falconieri, et al., 2002
Congiu, R.; Falconieri, D.; Marongiu, B.; Piras, A.; Porcedda, S.,
Extraction and isolation of Pistacia lentiscus L. essential oil by supercritical CO2,
Flavour Fragr. J., 2002, 17, 4, 239-244, https://doi.org/10.1002/ffj.1095
. [all data]
Oyedeji, Olawore, et al., 1999
Oyedeji, A.O.; Olawore, O.N.; Ekundayo, O.; Koenig, W.A.,
Volatile leaf oil constituents of three Eucalyptus species from Nigeria,
Flavour Fragr. J., 1999, 14, 4, 241-244, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<241::AID-FFJ820>3.0.CO;2-Y
. [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, 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.