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

cafestol palmitate
(5-oxofuran-2(5H)-ylidene)acetic acid

Supplier Sponsors

CAS Number: 81760-46-5Picture of molecule3D/inchi
FDA UNII: P8W9M3T86Y
Beilstein Number:003111
MDL:MFCD01075770
XlogP3-AA:11.20 (est)
Molecular Weight:554.85506000
Formula:C36 H58 O4
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
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"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: 629.00 to 630.00 °C. @ 760.00 mm Hg (est)
Flash Point: 305.00 °F. TCC ( 151.40 °C. ) (est)
logP (o/w): 0.311 (est)
Soluble in:
 water, 6.884e-008 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.
Cafestol Palmitate
Santa Cruz Biotechnology
For experimental / research use only.
Cafestol Palmitate 98%
 
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 cafestol palmitate usage levels up to:
 not for fragrance use.
 
Recommendation for cafestol palmitate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :133758
National Institute of Allergy and Infectious Diseases:Data
Chemidplus:0081760465
 
References:
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):133758
Pubchem (sid):135089235
 
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
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
EFSA Update of results on the monitoring of furan levels in food:Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:Read Report
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 coffee bean green coffee bean
Search PMC Picture
 
Synonyms:
 acetic acid, 2-(5-oxo-2(5H)-furanylidene)-, (2E)-
 cafestol palmitate
(5-oxofuran-2(5H)-ylidene)acetic acid
(2E)-(5-oxofuran-2(5H)-ylidene)ethanoic acid
 

Articles:

PubMed:Coffee diterpenes prevent the genotoxic effects of 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) and N-nitrosodimethylamine in a human derived liver cell line (HepG2).
PubMed:Potential chemoprotective effects of the coffee components kahweol and cafestol palmitates via modification of hepatic N-acetyltransferase and glutathione S-transferase activities.
PubMed:Effects of inducers of drug metabolism on basic hepatic forms of mouse glutathione transferase.
PubMed:Use of silver nitrate impregnated silica cartridges in the separation of kahweol and cafestol esters by preparative liquid chromatography.
PubMed:Inhibition of carcinogenesis by some minor dietary constituents.
PubMed:Inhibition of neoplasia by minor dietary constituents.
PubMed:Isolation and identification of kahweol palmitate and cafestol palmitate as active constituents of green coffee beans that enhance glutathione S-transferase activity in the mouse.
 
Notes:
active constituent of green coffee bean; enhance glutathione s-transferase activity.
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