2-hydroxy-3,5,5-trimethyl-2-cyclopenten-1-one
2-cyclopenten-1-one, 2-hydroxy-3,5,5-trimethyl
 
Notes:
Aroma constit. of roasted Arabica coffee beans
Synonyms   Articles   Notes   Search
CAS Number: 53263-56-2Picture of molecule3D/inchi
Nikkaji Web: J581.597E
XlogP3-AA: 1.20 (est)
Molecular Weight: 140.18204000
Formula: C8 H12 O2
NMR Predictor: Predict (works with chrome 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
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 242.39 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.006000 mmHg @ 25.00 °C. (est)
Flash Point: 211.00 °F. TCC ( 99.30 °C. ) (est)
logP (o/w): 0.486 (est)
Soluble in:
 water, 1198 mg/L @ 25 °C (est)
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: caramellic
 
 sweet  caramellic  
Odor Description:
sweet caramel
 
Odor and/or flavor descriptions from others (if found).
 
 
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Suppliers:
 None found
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: natural substances and extractives
Recommendation for 2-hydroxy-3,5,5-trimethyl-2-cyclopenten-1-one usage levels up to:
 not for fragrance use.
 
Recommendation for 2-hydroxy-3,5,5-trimethyl-2-cyclopenten-1-one flavor usage levels up to:
 not for flavor use.
Synonyms   Articles   Notes   Search   Top
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 : 528699
National Institute of Allergy and Infectious Diseases: Data
 2-hydroxy-3,5,5-trimethylcyclopent-2-en-1-one
Synonyms   Articles   Notes   Search   Top
References:
 2-hydroxy-3,5,5-trimethylcyclopent-2-en-1-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 528699
Pubchem (cas): 53263-56-2
Pherobase: View
Synonyms   Articles   Notes   Search   Top
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): HMDB39680
FooDB: FDB019309
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
None Found
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
None Found
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 coffee roasted coffee
Search  PMC Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
2-cyclopenten-1-one, 2-hydroxy-3,5,5-trimethyl
2-hydroxy-3,5,5-trimethylcyclopent-2-en-1-one
Synonyms   Articles   Notes   Search   Top
Synonyms   Articles   Notes   Search   Top
Please share your Comments.
Email Address:
 
 
 
 
Top of Page Home
Copyright © 1980-2021 Perflavory ™ Disclaimer Privacy Policy