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2,3,5-trimethyl phenol

Chemical Structure

General Material Information

Preferred name 2,3,5-trimethyl phenol
Trivial Name 2,3,5-Trimethylphenol
Short Description phenol, 2,3,5-trimethyl-
Formula C9 H12 O
CAS Number 697-82-5
ECHA Number 211-806-9
FDA UNII 1S1061ZBQ1
Nikkaji Number J43.368C
Beilstein Number 2042210
MDL MFCD00002228
xLogP3-AA 2.70 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • isopseudo cumenol
  • 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
  • 2,3,5-Trimethylphenol
  • Isopseudocumenol
  • 1-Hydroxy-2,3,5-trimethylbenzene
  • 6-Hydroxypseudocumene
  • NSC 5296
  • 3,5,6-Trimethylphenol

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 136.19383239746
Melting Point 93 to 94°C @ 760 mm Hg
Boiling Point 230 to 231°C @ 760 mm Hg
Vapor Pressure 0.042 mmHg @ 25 °C
Flash Point TCC Value 103.6 °C TCC
logP (o/w) 2.876 est
Solubility
alcohol Yes
water, 762 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Flavor Type: Burnt
burnt, coffee, woody
General comment Burnt coffee woody

Occurrences

Safety Information

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

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.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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