acetoisovanillone
2-methoxy-5-acetylphenol
Identification
| Name | acetoisovanillone |
| CAS Number | 6100-74-9 |
| FDA UNII | 286G943O33 |
| Molecular Formula | C9 H10 O3 |
| Molecular Weight | 166.17630000 |
| MDL Number | MFCD00182975 |
| Nikkaji Number | J13.303E |
| XlogP3 | 1.20 (est) |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 329.92 °C. @ 760.00 mm Hg (est) |
| Flash Point | 276.00 °F. TCC ( 135.70 °C. ) (est) |
| logP (o/w) | 1.373 (est) |
| Soluble in | water, 8653 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for acetoisovanillone usage levels up to | not for fragrance use. |
| Recommendation for acetoisovanillone flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
iso
acetovanillone
1-
acetyl-3-hydroxy-4-methoxybenzene
benzaldehyde, 2-hydroxy-5-methoxy- (9CI)
ethanone, 1-(3-hydroxy-4-methoxyphenyl)-
3-
hydroxy-4-methoxyacetophenone
1-(3-
hydroxy-4-methoxyphenyl)ethanone
3'-
hydroxy-4'-methoxyacetophenone
4-
methoxy-3-hydroxyacetophenone
4'-
methoxy-3'-hydroxyacetophenone
2-
methoxy-5-acetylphenol
PubMed:
Nontargeted GC-MS approach for volatile profile of toasting in cherry, chestnut, false acacia, and ash wood.
PubMed:
Metabolism of aromatic plant ketones in rats: acetovanillone and paeonol.
PubMed:
Two new acetoisovanillone glycosides from the water-soluble fraction of Paeonia ostii
PubMed:
Anti-inflammatory effect of Pycnocycla spinosa extract and its component isoacetovanillone on acetic acid induced colitis in rats
PubMed:
Bioassay-directed isolation of falcarindiol and isoacetovanillon from Pycnocycla caespitosa based on KCl-induced contraction in rat uterus smooth muscles