Articles:
| PubMed: | 2-[N-(4-Meth-oxy-phen-yl)acetamido]-1,3-thia-zol-4-yl acetate. |
| PubMed: | [Chemical constituents from rhizome of Daphne papyracea var. crassiuscula]. |
(1R-(1alpha,4abeta,4balpha,10aalpha))-1,2,3,4,4a,4b,5,6,10,10a-decahydro-7-isopropyl-1,4a-dimethyl phenanthren-1-methanol acetate
Notes:
None found
| CAS Number: | 54200-50-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 259-025-2 | |
| FDA UNII: | I0S2JS6HIS | |
| Nikkaji Web: | J266.828I | |
| XlogP3-AA: | 5.40 (est) | |
| Molecular Weight: | 330.51138000 | |
| Formula: | C22 H34 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 416.00 to 418.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.608000 mmHg @ 25.00 °C. |
| Flash Point: | 243.00 °F. TCC ( 117.10 °C. ) (est) |
| logP (o/w): | 7.394 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.005342 mg/L @ 25 °C (est) | |
| Similar Items: note | |
| abietyl alcohol | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| None found |
Safety Information:
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for abietyl acetate usage levels up to: | |||
| 0.8000 % in the fragrance concentrate. | |||
| Recommendation for abietyl acetate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 54200-50-9 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 171324 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methyl acetate | |
| Chemidplus: | 0054200509 |
References:
| [(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 171324 |
| Pubchem (sid): | 135126687 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| abietyl acetate | |
| (1R-(1alpha,4abeta,4balpha,10aalpha))-1,2,3,4,4a,4b,5,6,10,10a- | decahydro-7-isopropyl-1,4a-dimethyl phenanthren-1-methanol acetate |
| decahydroisopropyl dimethyl phenanthrene-1-methanol acetate | |
| [(1R,4aR,4bR,10aR)-1,4a- | dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methyl acetate |
| 1- | phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, acetate, (1R,4aR,4bR,10aR)- |