Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester
- Formula: C14H18O2
- Molecular weight: 218.2915
- IUPAC Standard InChI: InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6+
- IUPAC Standard InChIKey: FOCMOGKCPPTERB-RMKNXTFCSA-N
- CAS Registry Number: 140-27-2
- 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, cinnamyl ester; Cinnamyl isovalerate; 3-Phenylallyl isovalerate
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- Information on this page:
- Other data available:
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Normal alkane RI, polar column, custom temperature program
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 |
|---|---|---|---|
| Active phase | Carbowax 20M | Innowax FSC | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. |
| Column length (m) | 60. | 50. | |
| Carrier gas | Hydrogen | ||
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.32 | |
| Phase thickness (μm) | 0.25 | ||
| Program | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified |
| I | 2271. | 2329. | 2289. |
| Reference | Vinogradov, 2004 | Tunalier, Kirimer, et al., 2002 | Waggott and Davies, 1984 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Tunalier, Kirimer, et al., 2002
Tunalier, Z.; Kirimer, N.; Baser, K.H.C.,
The composition of essential oils from various parts of Juniperus foetidissima,
Chem. Nat. Compd. (Engl. Transl.), 2002, 38, 1, 43-47, https://doi.org/10.1023/A:1015725630556
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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