2,3,5-trimethyl phenol
phenol, 2,3,5-trimethyl-
 
Notes:
None found
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      697-82-5 2,3,5-Trimethylphenol 95%
       
  • Penta International
    • Penta International Corporation
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      Product(s):
      20-83690 2,3,5-TRIMETHYL PHENOL
       
  • TCI AMERICA
    • TCI AMERICA
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      Product(s):
      T0485 2,3,5-Trimethylphenol >98.0%(GC)
       
Synonyms   Articles   Notes   Search
CAS Number: 697-82-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 211-806-9
FDA UNII: 1S1061ZBQ1
Nikkaji Web: J43.368C
Beilstein Number: 2042210
MDL: MFCD00002228
XlogP3-AA: 2.70 (est)
Molecular Weight: 136.19384000
Formula: C9 H12 O
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: 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
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 93.00 to  94.00 °C. @ 760.00 mm Hg
Boiling Point: 230.00 to  231.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.042000 mmHg @ 25.00 °C. (est)
Flash Point: 219.00 °F. TCC ( 103.60 °C. ) (est)
logP (o/w): 2.876 (est)
Soluble in:
 alcohol
 water, 762 mg/L @ 25 °C (exp)
Insoluble in:
 water
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Organoleptic Properties:
Odor Description:
woody
 
 
Flavor Type: burnt
 
 burnt  coffee  woody  
Taste Description:
burnt coffee woody
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
2,3,5-Trimethylphenol 95%
EMD Millipore
For experimental / research use only.
2,3,5-Trimethylphenol
Penta International
2,3,5-TRIMETHYL PHENOL
Santa Cruz Biotechnology
For experimental / research use only.
2,3,5-Trimethylphenol
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,3,5-Trimethylphenol 99%
TCI AMERICA
For experimental / research use only.
2,3,5-Trimethylphenol >98.0%(GC)
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Safety Information:
Preferred SDS: View
 
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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for 2,3,5-trimethyl phenol flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 697-82-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 12769
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 2,3,5-trimethylphenol
Chemidplus: 0000697825
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References:
 2,3,5-trimethylphenol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 697-82-5
Pubchem (cid): 12769
Pubchem (sid): 134976616
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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
CHEBI: View
CHEMBL: View
HMDB (The Human Metabolome Database): Search
FooDB: FDB005153
Export Tariff Code: 2907.19.8000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
For Odor
caramellic
isopropenyl pyrazineFL/FR
 
For Flavor
 
burnt
isopropenyl pyrazineFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 coffee bean
Search Trop  Picture
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Synonyms:
isopseudocumenol
1-hydroxy-2,3,5-trimethyl benzene
1-hydroxy-2,3,5-trimethylbenzene
 phenol, 2,3,5-trimethyl-
2,3,5-trimethylbenzolol
2,3,5-trimethylphenol
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Articles:
US Patents: 3,946,080 - Flavouring and perfuming ingredients
PubMed: Substrate specificity and enzyme recycling using chitosan immobilized laccase.
US Patents: Furfurylthioacetone
PubMed: Characterization of phenol and alkyl phenols in organic matrixes with monoethylene glycol extraction and multidimensional gas chromatography/mass spectrometry.
PubMed: Effects of coffee components on the response of GABA(A) receptors expressed in Xenopus oocytes.
PubMed: Gentisic acid and its 3- and 4-methyl-substituted homologoues as intermediates in the bacterial degradation of m-cresol, 3,5-xylenol and 2,5-xylenol.
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