2-hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one
2-cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl-
 
Notes:
Aroma constit. of roasted Arabica coffee beans as mixed cis- and trans- isomers. Flavouring agent
Synonyms   Articles   Notes   Search
Fragrance Demo Formulas    Flavor Demo Formulas
2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one (Click)
CAS Number: 109682-87-3Picture of molecule
XlogP3-AA: 1.20 (est)
Molecular Weight: 140.18204000
Formula: C8 H12 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and 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
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: white crystals (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 249.61 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.004000 mm/Hg @ 25.00 °C. (est)
Flash Point: 217.00 °F. TCC ( 102.80 °C. ) (est)
logP (o/w): 0.641 (est)
Soluble in:
 water, 1285 mg/L @ 25 °C (est)
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Type: sweet
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 sweet  burnt  spicy  caramellic  maple  coffee  bready  licorice  
Odor Description:
sweet burnt powerful spicy corylone-like caramel maple coffee bread licorice
  
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: flavor and fragrance agents
 
Synonyms   Articles   Notes   Search   Top
Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 528707
National Institute of Allergy and Infectious Diseases: Data
 2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one
Synonyms   Articles   Notes   Search   Top
References:
 2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 528707
Pubchem (cas): 109682-87-3
Synonyms   Articles   Notes   Search   Top
Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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): HMDB39652
FooDB: FDB019281
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  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
2-cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl-
2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one
3,4,5-trimethyl-2-hydroxycyclopent-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 © 1980-2017 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy