EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

3-acetyl lupeol
lupeyl acetate

Supplier Sponsors

Name:[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
CAS Number: 1617-68-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:216-575-8
FDA UNII: WJ3A89G0H6
Nikkaji Web:J145.292D
MDL:MFCD00017362
XlogP3-AA:10.40 (est)
Molecular Weight:468.76484000
Formula:C32 H52 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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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: 502.70 °C. @ 760.00 mm Hg (est)
Flash Point: 490.00 °F. TCC ( 254.70 °C. ) (est)
logP (o/w): 11.870 (est)
Soluble in:
 water, 2.041e-006 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-Lupenyl acetate
Carbosynth
For experimental / research use only.
Lupeol acetate
ExtraSynthese
For experimental / research use only.
Lupeol acetate (HPLC) ≥95%
 
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:
natural substances and extractives
Recommendation for 3-acetyl lupeol usage levels up to:
 not for fragrance use.
 
Recommendation for 3-acetyl lupeol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :92157
National Institute of Allergy and Infectious Diseases:Data
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
Chemidplus:0001617681
 
References:
 [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):92157
Pubchem (sid):135048813
 
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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C08630
HMDB (The Human Metabolome Database):Search
FooDB:FDB014104
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 burdock plant
Search Trop Picture
 date palm
Search Trop Picture
 date palm stem
Search Trop Picture
 euphorbia fischeriana root
Search Trop Picture
 fig leaf
Search Trop Picture
 
Synonyms:
3-acetyllupeol
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
 lup-20(29)-en-3-ol, acetate, (3beta)-
 lup-20(29)-en-3beta-ol, acetate (8CI)
 lupeol acetate
 lupeyl acetate
 

Articles:

PubMed:Occurrence and sources of triterpenoid methyl ethers and acetates in sediments of the cross-river system, southeast Nigeria.
PubMed:[Isolation and identification of the lipophilic constituents from the root of Euphorbia fischeriana Steud].
PubMed:New lupane triterpenoids from Solidago canadensis that inhibit the lyase activity of DNA polymerase beta.
PubMed:Two new triterpene esters from the twigs of Brachylaena ramiflora from the Madagascar rainforest.
PubMed:New cytotoxic terpenoids from the wood of Vepris punctata from the Madagascar Rainforest.
PubMed:New cytotoxic lupane triterpenoids from the twigs of Coussarea paniculata.
 
Notes:
from root of euphorbia fischeriana steud.
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