Linalyl isobutyrate
- Formula: C14H24O2
- Molecular weight: 224.3392
- IUPAC Standard InChI: InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3
- IUPAC Standard InChIKey: JZIARAQCPRDGAC-UHFFFAOYSA-N
- CAS Registry Number: 78-35-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1,5-Dimethyl-1-vinyl-4-hexenyl isobutyrate; Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester; Isobutyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester; Linalool isobutyrate; 1,6-Octadien-3-ol, 3,7-dimethyl-, isobutyrate; 3,7-Dimethyl-1,6-octadien-3-yl isobutyrate; 3,7-Dimethyl-1,6-octadienyl isobutyrate; 1,5-Dimethyl-1-vinyl-4-hexenyl 2-methylpropanoate; Linalyl 2-methylpropanoate; Isobutyric acid, linalyl ester; NSC 46145; Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester; Linalol isobutyrate; 1,5-dimethyl-1-vinylhex-4-enyl isobutyrate
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Van Den Dool and Kratz 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 |
|---|---|---|---|---|
| Active phase | SPB-1 | DB-5 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | H2 |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 60. | 60. |
| Tend (C) | 250. | 250. | 260. | 240. |
| Heat rate (K/min) | 5. | 5. | 4. | 3. |
| Initial hold (min) | 3. | 3. | ||
| Final hold (min) | 15. | 15. | ||
| I | 1379. | 1378. | 1374. | 1372. |
| Reference | Blagojevic, Radulovic, et al., 2006 | Blagojevic, Radulovic, et al., 2006 | Javidnia, Miri, et al., 2002 | Nogueira, Bittrich, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Blagojevic, Radulovic, et al., 2006
Blagojevic, P.; Radulovic, N.; Palic, R.; Stojanovic, G.,
Chemical composition of the essential oils of Serbian wild-growing Srtemisia absinthium and Artemisia vulgaris,
J. Agric. Food Chem., 2006, 54, 13, 4780-4789, https://doi.org/10.1021/jf060123o
. [all data]
Javidnia, Miri, et al., 2002
Javidnia, K.; Miri, R.; Kamalinejad, M.; Nasiri, A.,
Composition of the essential oil of Salvia mirzayanii Rech. f. Esfand from Iran,
Flavour Fragr. J., 2002, 17, 6, 465-467, https://doi.org/10.1002/ffj.1128
. [all data]
Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J.,
The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae),
Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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