2,3,5-trimethyl phenol

phenol, 2,3,5-trimethyl-

CAS: 697-82-5 C9 H12 O MW: 136.19384000 burnt

Identification

Name2,3,5-trimethyl phenol
IUPAC2,3,5-trimethylphenol
CAS Number697-82-5
EINECS211-806-9
FDA UNII1S1061ZBQ1
Molecular FormulaC9 H12 O
Molecular Weight136.19384000
MDL NumberMFCD00002228
Nikkaji NumberJ43.368C
Beilstein2042210

Regulatory

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
Insoluble in water

Organoleptic Properties

Odor Description woody
Taste Description burnt coffee woody

Safety Information

Preferred SDSView
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryfragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for 2,3,5-trimethyl phenol flavor usage levels up tonot for flavor use.

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Potential Uses

None Found

Natural Occurrence

coffee bean

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 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.