Isobornyl acetate
- Formula: C12H20O2
- Molecular weight: 196.2860
- IUPAC Standard InChI: InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m1/s1
- IUPAC Standard InChIKey: KGEKLUUHTZCSIP-SQLBVSGCSA-N
- CAS Registry Number: 125-12-2
- 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. - Stereoisomers:
- Other names: Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-; Isoborneol, acetate; Acetic acid, isobornyl ester; Pichtosin; Pichtosine; Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-; exo-Bornyl acetate; 2-Bornyl acetate, exo-; exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acetate; 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate; 17283-45-3; endo-Bornyl acetate; (+)-Bornyl acetate = Isobornyl acetate
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- Other data available:
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Kovats' 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 | BP-1 | BPX-5 | DB-5 | Methyl Silicone | BP-1 |
| Column length (m) | 30. | 25. | 30. | 50. | 25. |
| Carrier gas | N2 | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.22 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 70. | 60. |
| Tend (C) | 220. | 240. | 250. | 240. | 220. |
| Heat rate (K/min) | 5. | 3. | 0.5 | 4. | 5. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 3. | 10. | 15. | ||
| I | 1268. | 1302. | 1290. | 1262. | 1275. |
| Reference | Srivastava, Srivastava, et al., 2006 | El-Ghorab, Mansour, et al., 2004 | Viña and Murillo, 2003 | Palá-Paúl, Pérez-Alonso, et al., 2002 | Raina, Srivastava, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | BP-1 | SSP-1 | DB-5 |
| Column length (m) | 25. | 30. | 30. |
| Carrier gas | N2 | He | He |
| Substrate | |||
| Column diameter (mm) | 0.55 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 60. |
| Tend (C) | 220. | 250. | 240. |
| Heat rate (K/min) | 5. | 2. | 4. |
| Initial hold (min) | 2. | ||
| Final hold (min) | 15. | 5. | |
| I | 1268. | 1256. | 1288. |
| Reference | Raina, Srivastava, et al., 2002, 2 | Nagarajan, Rao, et al., 2001 | Zoghbi, Andrade, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Srivastava, Srivastava, et al., 2006
Srivastava, A.K.; Srivastava, S.K.; Syamsundar, K.V.,
Volatile composition of Curcuma angustifolia Roxb. rhizome from central and southern India,
Flavour Fragr. J., 2006, 21, 3, 423-426, https://doi.org/10.1002/ffj.1680
. [all data]
El-Ghorab, Mansour, et al., 2004
El-Ghorab, A.H.; Mansour, A.F.; El-massry, K.F.,
Effect of extraction methods on the chemical composition and antioxidant activity of Egyptian marjoram (Majorana hortensis Moench),
Flavour Fragr. J., 2004, 19, 1, 54-61, https://doi.org/10.1002/ffj.1276
. [all data]
Viña and Murillo, 2003
Viña, A.; Murillo, E.,
Essential oil composition from twelve varieties of basil (Ocimum spp) grown in Columbia,
J. Braz. Chem. Soc., 2003, 14, 5, 744-749, https://doi.org/10.1590/S0103-50532003000500008
. [all data]
Palá-Paúl, Pérez-Alonso, et al., 2002
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Sanz, J.,
Essential oil composition of Schizogyne glaberrima DC, a species endemic to the Canary Islands,
Flavour Fragr. J., 2002, 17, 1, 13-14, https://doi.org/10.1002/ffj.1043
. [all data]
Raina, Srivastava, et al., 2002
Raina, V.K.; Srivastava, S.K.; Syamasunder, K.V.,
The essential oil of 'greater galangal' [Alpinia galanga (L.) Willd.] from the lower Himalayan region of India,
Flavour Fragr. J., 2002, 17, 5, 358-360, https://doi.org/10.1002/ffj.1105
. [all data]
Raina, Srivastava, et al., 2002, 2
Raina, V.K.; Srivastava, S.K.; Jain, N.; Ahmad, A.; Syamasundar, K.V.; Aggarwal, K.K.,
Essential oil composition of Curcuma longa L. cv. Roma from the plains of northern India,
Flavour Fragr. J., 2002, 17, 2, 99-102, https://doi.org/10.1002/ffj.1053
. [all data]
Nagarajan, Rao, et al., 2001
Nagarajan, S.; Rao, L.J.M.; Gurudutt, K.N.,
Chemical composition of the volatiles of Hemidesmus indicus R. Br.,
Flavour Fragr. J., 2001, 16, 3, 212-214, https://doi.org/10.1002/ffj.985
. [all data]
Zoghbi, Andrade, et al., 1998
Zoghbi, M.G.B.; Andrade, E.H.A.; Santos, A.S.; Silva, M.H.L.; Maia, J.G.S.,
Essential oils of Lippia alba (Mill.) N. E. Br growing wild in the Brazilian Amazon,
Flavour Fragr. J., 1998, 13, 1, 47-48, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<47::AID-FFJ690>3.0.CO;2-0
. [all data]
Notes
Go To: Top, Kovats' 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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