3-methyl coumarin
2H-1-benzopyran-2-one, 3-methyl- (9CI)
Identification
| Name | 3-methyl coumarin |
| IUPAC | 3-methylchromen-2-one |
| CAS Number | 2445-82-1 |
| EINECS | 219-498-8 |
| FDA UNII | 9PCU0P29Z3 |
| Molecular Formula | C10 H8 O2 |
| Molecular Weight | 160.17216000 |
| Nikkaji Number | J96.128K |
| Beilstein | 0122776 |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 91.00 °C. @ 760.00 mm Hg |
| Boiling Point | 292.50 °C. @ 760.00 mm Hg |
| Flash Point | 249.00 °F. TCC ( 120.60 °C. ) (est) |
| logP (o/w) | 2.420 (est) |
| Soluble in | water, 1189 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | subcutaneous-mouse LD50 316 mg/kg |
| 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 | pharmaceuticals / chemical synthisis |
| Recommendation for 3-methyl coumarin usage levels up to | not for fragrance use. |
| Recommendation for 3-methyl coumarin flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
2H-1-
benzopyran-2-one, 3-methyl- (9CI)
coumarin, 3-methyl-
3-
methyl-2H-1-benzopyran-2-one
3-
methyl-2H-chromen-2-one
3-
methylchromen-2-one
PubMed:
Two new compounds from the plant endophytic fungus Pestalotiopsis versicolor.
PubMed:
Spectroscopic and quantum chemical electronic structure investigations of 3,4-dihydrocoumarin and 3-methylcoumarin.
PubMed:
Crystal structure of 5,7-dihydroxy-3-methylcoumarin.
PubMed:
Coumarins from the aerial part of Halocnemum strobilaceum.
PubMed:
Toxicity of coumarin and various methyl derivatives in cultures of rat hepatocytes and V79 cells.
PubMed:
Photolysis and deacylation of inhibited chymotrypsin.
PubMed:
[DERIVATIVES OF BENZOFURAN AND COUMARIN. III. BETA-ALANINAMIDES OF THE 2-ETHYL-3-METHYLBENZOFURAN AND 2-ETHYL-3-METHYLCOUMARIN SERIES].
PubMed:
[Research on benzopyrones; ultraviolet spectra of 3-methylcoumarin and 4-methylcoumarin].