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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Van Den Dool and Kratz RI, 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 | Supelcowax-10 | CP-Wax 52CB | CP-Wax 52CB | CP-Wax 52CB | CP-Wax 52CB |
| Column length (m) | 30. | 50. | 50. | 50. | 50. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.2 | |||
| Tstart (C) | 60. | 32. | 60. | 60. | 40. |
| Tend (C) | 240. | 220. | 220. | 220. | 220. |
| Heat rate (K/min) | 3. | 1. | 4. | 4. | 4. |
| Initial hold (min) | 5. | 1. | 5. | 5. | 5. |
| Final hold (min) | 10. | 30. | 30. | 30. | |
| I | 1568. | 1570. | 1565. | 1559. | 1568. |
| Reference | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Kjeldsen, Christensen, et al., 2003 | Chevance and Farmer, 1999 | Chevance and Farmer, 1999, 2 | Chevance and Farmer, 1999, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M |
| Column length (m) | 60. | 50. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.2 |
| Phase thickness (μm) | 0.425 | 0.2 |
| Tstart (C) | 45. | 30. |
| Tend (C) | 300. | 170. |
| Heat rate (K/min) | 3. | 4. |
| Initial hold (min) | 3. | 2. |
| Final hold (min) | 20. | 20. |
| I | 1580. | 1582. |
| Reference | Mondello, Dugo, et al., 1995 | Píry, Príbela, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S.,
Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments,
J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z
. [all data]
Kjeldsen, Christensen, et al., 2003
Kjeldsen, F.; Christensen, L.P.; Edelenbos, M.,
Changes in volatile compounds of carrots (Daucus carota L.) during refrigerated and frozen storage,
J. Agric. Food Chem., 2003, 51, 18, 5400-5407, https://doi.org/10.1021/jf030212q
. [all data]
Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J.,
Identification of major volatile odor compounds in frankfurters,
J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d
. [all data]
Chevance and Farmer, 1999, 2
Chevance, F.F.V.; Farmer, L.J.,
Release of volatile odor compounds from full-fat and reduced-fat frankfurters,
J. Agric. Food Chem., 1999, 47, 12, 5161-5168, https://doi.org/10.1021/jf9905166
. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [all data]
Píry, Príbela, et al., 1995
Píry, J.; Príbela, A.; Durcanská, J.; Farkas, P.,
Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods,
Food Chem., 1995, 54, 1, 73-77, https://doi.org/10.1016/0308-8146(95)92665-7
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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