cis-3-Hexenyl isovalerate
- Formula: C11H20O2
- Molecular weight: 184.2753
- IUPAC Standard InChI: InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-
- IUPAC Standard InChIKey: AIQLNKITFBJPFO-WAYWQWQTSA-N
- CAS Registry Number: 35154-45-1
- 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: Isovaleric acid cis-3-hexenyl ester; Butanoic acid, 3-methyl-, 3-hexenyl ester, (Z)-; Isovaleric acid, 3-hexenyl ester, (Z)-; AI3-35966; cis-3-Hexenyl 3-methylbutanoate; (3Z)-3-Hexenyl 3-methylbutanoate; (Z)-3-Hexenyl 3-methylbutanoate; (Z)-3-Hexenyl isopentanoate; (Z)-3-Hexenyl isovalerate; (Z)-Hex-3-en-1-yl 3-methylbutanoate; (Z)-hex-3-enyl isovalerate
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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 | HP-5 | HP-5 | DB-1-MS | HP-5 MS | CP Sil 8 CB |
| Column length (m) | 30. | 30. | 60. | 30. | 30. |
| Carrier gas | Helium | Hydrogen | Helium | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 70. | 30. | 50. | 40. |
| Tend (C) | 240. | 290. | 200. | 230. | 250. |
| Heat rate (K/min) | 3. | 5. | 2. | 4. | 3. |
| Initial hold (min) | 2. | 4. | 4. | 5. | |
| Final hold (min) | 35. | 10. | 20. | ||
| I | 1245. | 1238. | 1220. | 1238. | 1234. |
| Reference | Kahriman, Tosun, et al., 2011 | Radulovic, Dordevic, et al., 2010 | Takeoka, Hobbs, et al., 2010 | Forero, Quijano, et al., 2008 | Li, Lee, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | PE-5 | CP Sil 8 CB | SPB-5 |
| Column length (m) | 30. | 30. | 50. |
| Carrier gas | H2 | He | He |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 60. |
| Tend (C) | 230. | 220. | 240. |
| Heat rate (K/min) | 5. | 3. | 3. |
| Initial hold (min) | 2. | 2. | |
| Final hold (min) | 4. | 20. | |
| I | 1239. | 1238. | 1230. |
| Reference | Singh, Raina, et al., 2005 | Juteau, Masotti, et al., 2002 | Doneanu and Anitescu, 1998 |
| Comment | MSDC-RI | 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.
Kahriman, Tosun, et al., 2011
Kahriman, N.; Tosun, G.; Terzioglu, S.; Karaoglu, S.A.; Yayh, N.,
Chemical composition and antimicrobial activity of the essential oils from the flower, leaf, and stem of Senecio pandurifolis,
Rec. Nat. Prod., 2011, 5, 2, 82-91. [all data]
Radulovic, Dordevic, et al., 2010
Radulovic, N.S.; Dordevic, N.D.; Palic, R.M.,
Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae),
J. Serbian Chem. Soc., 2010, 75, 12, 1-11, https://doi.org/10.2298/JSC100323127R
. [all data]
Takeoka, Hobbs, et al., 2010
Takeoka, G.R.; Hobbs, C.; Byeoung-Soo, P.,
Volatile constituents of the aerial parts of Salvia apiana Jepson,
J. Essential Oil. Res., 2010, 22, 3, 241-244, https://doi.org/10.1080/10412905.2010.9700314
. [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]
Li, Lee, et al., 2006
Li, Z.-G.; Lee, M.-R.; Shen, D.-L.,
Analysis of volatile compounds emitted from fresh Syringa oblata flowers in different florescence by headspace solid-phase microextraction-gas chromatography-mass spectrometry,
Anal. Chim. Acta., 2006, 576, 1, 43-49, https://doi.org/10.1016/j.aca.2006.01.074
. [all data]
Singh, Raina, et al., 2005
Singh, A.K.; Raina, V.K.; Naqvi, A.A.; Patra, N.K.; Kumar, B.; Ram, P.; Khanuja, S.P.S.,
Essential oil composition and chemoarrays of menthol mint (Mentha arvensis L. f. piperascens Malinvaud ex. Holmes) cultivars,
Flavour Fragr. J., 2005, 20, 3, 302-305, https://doi.org/10.1002/ffj.1417
. [all data]
Juteau, Masotti, et al., 2002
Juteau, F.; Masotti, V.; Bessière, J.-M.,
Compositional characteristics of the essential oil of Artemisia campestris var. glutinosa,
Biochem. Syst. Ecol., 2002, 30, 11, 1065-1070, https://doi.org/10.1016/S0305-1978(02)00052-2
. [all data]
Doneanu and Anitescu, 1998
Doneanu, C.; Anitescu, G.,
Supercritical carbon dioxide extraction of Angelica archangelica L. root oil,
J. Supercrit. Fluids, 1998, 12, 1, 59-67, https://doi.org/10.1016/S0896-8446(97)00040-5
. [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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