α-Terpinyl isovalerate
- Formula: C15H26O2
- Molecular weight: 238.3657
- IUPAC Standard InChI: InChI=1S/C15H26O2/c1-11(2)10-14(16)17-15(4,5)13-8-6-12(3)7-9-13/h6,11,13H,7-10H2,1-5H3
- IUPAC Standard InChIKey: XRADSECIALQFFY-UHFFFAOYSA-N
- CAS Registry Number: 1142-85-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Terpinyl iso-valerate; α-Terpinyl isopentanoate; n-Terpinenyl ester of isopentanoic acid; Isovaleric acid, p-menth-1-en-8-yl ester; α-Terpenyl isovalerate; Butanoic acid, 3-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester; 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl 3-methylbutanoate
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Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-NW-1458 |
| NIST MS number | 229570 |
Gas Chromatography
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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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1501. | Iranshahi, Amin, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 20. min |
| Capillary | CP Sil 5 CB | 1498. | Bos, Woerdenbag, et al., 1997 | 25. m/0.32 mm/0.25 μm, N2, 4. K/min; Tstart: 50. C; Tend: 290. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1858. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Iranshahi, Amin, et al., 2006
Iranshahi, M.; Amin, G.; Sourmaghi, M.S.; Shafiee, A.; Hadjiakhoondi, A.,
Sulphur-containing compounds in the essential oil of the root of Ferula persica Willd. var. persica,
Flavour Fragr. J., 2006, 21, 2, 260-261, https://doi.org/10.1002/ffj.1574
. [all data]
Bos, Woerdenbag, et al., 1997
Bos, R.; Woerdenbag, H.J.; Hendriks, H.; Smit, H.F.; Wikström, H.V.; Scheffer, J.J.C.,
Composition of the essential oil from roots and rhizomes of Valeriana wallichii DC,
Flavour Fragr. J., 1997, 12, 2, 123-131, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<123::AID-FFJ613>3.0.CO;2-4
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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