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
 
Notes:
None found
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CAS Number: 54200-50-9Picture of molecule3D/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:
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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
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
 None found
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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
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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.
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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
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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
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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
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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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)-
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