Isopentyl hexanoate
- Formula: C11H22O2
- Molecular weight: 186.2912
- IUPAC Standard InChI: InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
- IUPAC Standard InChIKey: XVSZRAWFCDHCBP-UHFFFAOYSA-N
- CAS Registry Number: 2198-61-0
- 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: Isoamyl caproate; Hexanoic acid, 3-methylbutyl ester; Hexanoic acid, isopentyl ester; Isoamyl hexanoate; Isopentyl-n-hexanoate; iso-Amyl n-hexanoate; 3-Methylbutyl hexanoate; Caproic acid isopentyl ester; Isopentyl caproate; Isopentyl esanoate
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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 | ZB-5 | DB-5 | HP-5 MS | SLB-5 MS | BP-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | Helium | Nitrogen | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 50. | 50. | 60. |
| Tend (C) | 230. | 230. | 230. | 250. | 220. |
| Heat rate (K/min) | 10. | 2. | 4. | 3. | 2. |
| Initial hold (min) | 2. | 4. | 2. | ||
| Final hold (min) | 10. | 10. | 10. | 20. | |
| I | 1253. | 1238. | 1254. | 1249. | 1229. |
| Reference | Alagarmalai, Nestel, et al., 2009 | Scrivanti, Anton, et al., 2009 | Forero, Quijano, et al., 2008 | Lo Presti, Sciarrone, et al., 2008 | Boti, Muselli, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5 | DB-5 | DB-5 | DB-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | H2 | N2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 50. | 40. | 40. | 60. |
| Tend (C) | 230. | 280. | 240. | 250. | 280. |
| Heat rate (K/min) | 6. | 4. | 4. | 4. | 3. |
| Initial hold (min) | 2. | 2. | 2. | 2. | |
| Final hold (min) | 15. | 10. | 5. | ||
| I | 1251. | 1260. | 1262. | 1249. | 1254. |
| Reference | Fan and Qian, 2006 | Pino, Sauri-Duch, et al., 2006 | El-Sayed, Heppelthwaite, et al., 2005 | Fan and Qian, 2005 | Congiu, Falconieri, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | DB-1 | DB-1 | DB-1 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | 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) | 60. | 50. | 50. | 50. | 50. |
| Tend (C) | 280. | 240. | 240. | 240. | 240. |
| Heat rate (K/min) | 3. | 3. | 3. | 5. | 5. |
| Initial hold (min) | 5. | 5. | 3. | 3. | |
| Final hold (min) | |||||
| I | 1254. | 1232. | 1234. | 1232. | 1234. |
| Reference | Congiu, Falconieri, et al., 2002 | Shiota, 1993 | Shiota, 1993 | Shiota, 1993 | Shiota, 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | BP-1 |
| Column length (m) | 25. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.33 |
| Phase thickness (μm) | |
| Tstart (C) | 45. |
| Tend (C) | 180. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | 3. |
| Final hold (min) | |
| I | 1234. |
| Reference | Wyllie, Brophy, et al., 1990 |
| Comment | 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.
Alagarmalai, Nestel, et al., 2009
Alagarmalai, J.; Nestel, D.; Dragusgich, D.; Nemny-Lavy, E.; Anshelevich, L.; Zada, A.; Soroker, V.,
Identification of host attactants for the Ethiopian fruit fly, Dacus ciliatus Loew,
J. Chem. Ecol., 2009, 35, 5, 542-551, https://doi.org/10.1007/s10886-009-9636-2
. [all data]
Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A.,
Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy,
Biochem. Systematics Ecol., 2009, 37, 3, 206-213, https://doi.org/10.1016/j.bse.2009.03.009
. [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]
Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L.,
Evaliation of the volatile and chiral composition in Pistacia lentiscus L. essential oil,
Flavour Fragr. J., 2008, 23, 4, 249-257, https://doi.org/10.1002/ffj.1878
. [all data]
Boti, Muselli, et al., 2006
Boti, J.B.; Muselli, A.; Tomi, F.; Koukoua, G.; N'Guessan, T.Y.; Costa, J.; Casanova, J.,
Combined analysis of Cymbopogon giganteus Chiov. leaf oil from Ivory Coast by GC/RI, GC/MS and 13C-NMR,
C.R. Chim., 2006, 9, 1, 164-168, https://doi.org/10.1016/j.crci.2005.10.003
. [all data]
Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry,
Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621
. [all data]
Pino, Sauri-Duch, et al., 2006
Pino, J.; Sauri-Duch, E.; Marbot, R.,
Changes in volatile compounds of Habanero chile pepper (Capsicum chinense Jack. cv. Habanero) at two ripening stages,
Food Chem., 2006, 94, 3, 394-398, https://doi.org/10.1016/j.foodchem.2004.11.040
. [all data]
El-Sayed, Heppelthwaite, et al., 2005
El-Sayed, A.M.; Heppelthwaite, V.J.; Manning, L.M.; Gibb, A.R.; Suckling, D.M.,
Volatile constituents of fermented sugar baits and their attraction to lepidopteran species,
J. Agric. Food Chem., 2005, 53, 4, 953-958, https://doi.org/10.1021/jf048521j
. [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]
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]
Shiota, 1993
Shiota, H.,
New esteric components in the volatiles of banana fruit (Musa sapientum L.),
J. Agric. Food Chem., 1993, 41, 11, 2056-2062, https://doi.org/10.1021/jf00035a046
. [all data]
Wyllie, Brophy, et al., 1990
Wyllie, S.G.; Brophy, J.J.; Sarafis, V.; Hobbs, M.,
Volatile Components of the Fruit of Pistacia Lentiscus,
J. Food. Sci., 1990, 55, 5, 1325-1326, https://doi.org/10.1111/j.1365-2621.1990.tb03926.x
. [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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