2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-
- Formula: C11H16O2
- Molecular weight: 180.2435
- IUPAC Standard InChI: InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3
- IUPAC Standard InChIKey: IMKHDCBNRDRUEB-UHFFFAOYSA-N
- CAS Registry Number: 15356-74-8
- 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: (2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone; 4,5,7,7a-Tetrahydro-4,4,7a-trimethyl-2(6H)benzofuranone; 4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-4H-Benzofuran-2-one; 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone; (2,6,6-trimethy1-2-hydroxycyclohexylidene)-acetic acid lactone; 5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-4H-benzo[b]furan-2-one; Dihydroactinolide; 5,6,7,7a-tetrahydro-4,4,7a-trimethylbenzofuran-2(4H)-one
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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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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
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP-5MS | HP-5 |
| Column length (m) | 30. | 30. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Program | 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) | 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
| I | 1538. | 1537. |
| Reference | Ansorena, Gimeno, et al., 2001 | Ansorena, Astiasarán, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J.,
Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona,
Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2
. [all data]
Ansorena, Astiasarán, et al., 2000
Ansorena, D.; Astiasarán, I.; Bello, J.,
Influence of the simultaneous addition of the protease flavourzyme and the lipase novozyme 677BG on dry fermented sausage compounds extracted by SDE and analyzed by GC-MS,
J. Agric. Food Chem., 2000, 48, 6, 2395-2400, https://doi.org/10.1021/jf990931y
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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