1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-methyl-
- Formula: C10H10O3
- Molecular weight: 178.1846
- IUPAC Standard InChI: InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3
- IUPAC Standard InChIKey: KWILGNNWGSNMPA-UHFFFAOYSA-N
- CAS Registry Number: 1200-93-7
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Isocoumarin, 3,4-dihydro-8-hydroxy-3-methyl-; 3,4-Dihydro-8-hydroxy-3-methylisocoumarin; Mellein; (.+/-.)-Mellein; 8-Hydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one; 3,4-Dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one, (.+/-.)-; 3,4-Dihydro-8-hydroxy-3-methyl-(1H)-2-benzopyran-1-one; Isocoumarin, 3,4-dihydro-8-hydroxy-3-methyl, (.+/-.)-; 3-Methyl-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one
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Gas Chromatography
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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
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | AT-Wax | 2432. | Kiss, Csoka, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 60. C; Tend: 280. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K.,
Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary,
J. Appl. Botany Food Quality, 2011, 84, 102-110. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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