2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-
- 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/t11-/m0/s1
- IUPAC Standard InChIKey: IMKHDCBNRDRUEB-NSHDSACASA-N
- CAS Registry Number: 17092-92-1
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-; Actinidiolide, dihydro-; NSC 357087; Dihydroactinidiolide; 4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one, (R)-; 5,6,7,7a-Tetrahydro-4,4-7a-trimethyl-2-(4H)-benzofuranone; (R)-4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one; 38273-56-2; dihydroactindiolide; 5,6,7,7a-Tetrahydro-4,4-7a-trimethyl-2-(4H)-benzofuranone (dihydroactinidiolide)
- Information on this page:
- Other data available:
- Options:
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 | DB-5 | HP-5 | DB-1 | DB-1 | DB-1 |
| Column length (m) | 25. | 30. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.15 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 30. | 30. | 30. |
| Tend (C) | 220. | 275. | 210. | 210. | 210. |
| Heat rate (K/min) | 3. | 4. | 2. | 2. | 2. |
| Initial hold (min) | 3. | 4. | 4. | 4. | |
| Final hold (min) | |||||
| I | 1493. | 1532. | 1473. | 1475. | 1473. |
| Reference | Mevy, Bessiere, et al., 2006 | Nickavar, Salehi-Sormagi, et al., 2002 | Takeoka, Flath, et al., 1990 | Takeoka, Flath, et al., 1990 | Takeoka, Flath, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-1 | OV-101 | OV-101 |
| Column length (m) | 60. | 70. | 70. |
| Carrier gas | He | N2 | N2 |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.28 | 0.28 |
| Phase thickness (μm) | 0.25 | ||
| Tstart (C) | 30. | 80. | 80. |
| Tend (C) | 210. | 200. | 200. |
| Heat rate (K/min) | 2. | 2. | 2. |
| Initial hold (min) | 4. | ||
| Final hold (min) | |||
| I | 1475. | 1508. | 1513. |
| Reference | Takeoka, Flath, et al., 1990 | Yamaguchi and Shibamoto, 1981 | Yamaguchi and Shibamoto, 1981 |
| 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.
Mevy, Bessiere, et al., 2006
Mevy, J.-P.; Bessiere, J.-M.; Greff, S.; Zombre, G.; Viano, J.,
Composition of the volatile oil from the leaves of Ximenia americana L.,
Biochem. Syst. Ecol., 2006, 34, 7, 549-553, https://doi.org/10.1016/j.bse.2006.01.007
. [all data]
Nickavar, Salehi-Sormagi, et al., 2002
Nickavar, B.; Salehi-Sormagi, M.H.; Amin, Gh.; Daneshtalab, M.,
Steam volatiles of Vaccinium arctostaphylos,
Pharm. Biol., 2002, 40, 6, 448-449, https://doi.org/10.1076/phbi.40.6.448.8449
. [all data]
Takeoka, Flath, et al., 1990
Takeoka, G.R.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Guentert, M.,
Volatile Constituents of Apricot (Prunus armeniaca),
J. Agric. Food Chem., 1990, 38, 2, 471-477, https://doi.org/10.1021/jf00092a031
. [all data]
Yamaguchi and Shibamoto, 1981
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita),
J. Agric. Food Chem., 1981, 29, 2, 366-370, https://doi.org/10.1021/jf00104a035
. [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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