methyl isovanillate
benzoic acid, 3-hydroxy-4-methoxy-, methyl ester
Identification
| Name | methyl isovanillate |
| IUPAC | methyl 3-hydroxy-4-methoxybenzoate |
| CAS Number | 6702-50-7 |
| FDA UNII | Search |
| Molecular Formula | C9 H10 O4 |
| Molecular Weight | 182.17550000 |
| MDL Number | MFCD01321262 |
| Nikkaji Number | J504.777C |
| XlogP3 | 1.80 (est) |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 327.70 °C. @ 760.00 mm Hg (est) |
| Flash Point | 271.00 °F. TCC ( 132.80 °C. ) (est) |
| logP (o/w) | 1.750 (est) |
| Soluble in | water, 1495 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 methyl isovanillate usage levels up to | not for fragrance use. |
| Recommendation for methyl isovanillate flavor usage levels up to | not for flavor use. |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Potential Uses
Natural Occurrence
Synonyms
benzoic acid, 3-hydroxy-4-methoxy-, methyl ester
2-
hydroxy-4-(methoxycarbonyl)anisole
3-
hydroxy-4-methoxybenzoic acid methyl ester
3-
hydroxy-4-methoxybenzoic acid, methyl ester
2-
methoxy-5-(methoxycarbonyl)phenol
methyl 3-hydroxy-4-methoxy-benzoate
methyl 3-hydroxy-4-methoxybenzenecarboxylate
methyl 3-hydroxy-4-methoxybenzoate
PubMed:
Expression and substrate range of Streptomyces vanillate demethylase.
PubMed:
Withdrawn paper: Li, M.D.; Zheng, Y.G.; Ji, M. Synthesis of gefitinib from methyl 3-hydroxy-4-methoxybenzoate. Molecules 2007,12,673-678.
PubMed:
Synthesis of gefitinib from methyl 3-hydroxy-4-methoxy-benzoate.
PubMed:
Protective constituents against sepsis in mice from the root cortex of Paeonia suffruticosa.
PubMed:
O-demethylation by the homoacetogenic anaerobe Holophaga foetida studied by a new photometric methylation assay using electrochemically produced cob(I)alamin.