methyl abietate
abietic acid, methyl ester
Identification
| Name | methyl abietate |
| IUPAC | methyl (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate |
| CAS Number | 127-25-3 |
| EINECS | 204-832-7 |
| FDA UNII | BY54I7IT3L |
| Molecular Formula | C21 H32 O2 |
| Molecular Weight | 316.48444000 |
| MDL Number | MFCD00019100 |
| Nikkaji Number | J1.324.517G |
| Beilstein | 2702228 |
Regulatory
| FDA Mainterm (IAUFC) | 127-25-3 ; METHYL ABIETATE |
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 362.50 °C. @ 760.00 mm Hg |
| Flash Point | 379.00 °F. TCC ( 192.80 °C. ) (est) |
| logP (o/w) | 7.503 (est) |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5000 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 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 | fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for methyl abietate flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
abietic acid, methyl ester
methyl (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
methyl (1R(1, 4a,4b,10a))-1,2, 3,4,4a,4b, 5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methyl ethyl)-1-phenanthrene carboxylate
methyl 7,13-abietadien-18-oate
1-
phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1a,4aβ,4ba,10aa))-
1-
phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-
podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester
PubMed:
Selective oxidation reactions of natural compounds with hydrogen peroxide mediated by methyltrioxorhenium.
PubMed:
Chemical composition and biological activity of a new type of Brazilian propolis: red propolis.
PubMed:
Oxidation products of abietic acid and its methyl ester.
PubMed:
Multiple forms of O-methyltransferase involved in the microbial conversion of abietic acid into methyl abietate by Mycobacterium sp.
PubMed:
Contact allergy due to colophony (III). Sensitizing potency of resin acids and some related products.
PubMed:
[Allergologic studies of intolerance to rosin].
PubMed:
Dihydroabietyl alcohol (Abitol): a sensitizer in mascara.