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3,4,5-trimethyl phenol

Chemical Structure

General Material Information

Preferred name 3,4,5-trimethyl phenol
Trivial Name 3,4,5-Trimethylphenol
Short Description phenol, 3,4,5-trimethyl-
Formula C9 H12 O
CAS Number 527-54-8
ECHA Number 208-418-7
FDA UNII 8S1I71213X
Nikkaji Number J101.200B
Beilstein Number 1907246
MDL MFCD00002305
NMR Predictor External link
Synonyms
  • 3,4,5-hemimellitenol
  • 5-hydroxy-1,2,3-trimethylbenzene
  • 1-hydroxy-3,4, 5-trimethylbenzene
  • 1-hydroxy-3,4,5-trimethyl benzene
  • 1-hydroxy-3,4,5-trimethylbenzene
  • phenol, 3,4,5-trimethyl-
  • 3,4,5-trimethylphenol
  • 3,4,5-Trimethylphenol
  • 3,4,5-Hemimellitenol
  • 1-Hydroxy-3,4,5-trimethylbenzene
  • 5-Hydroxy-1,2,3-trimethylbenzene
  • NSC 65648

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

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Literature & References

3,4,5-trimethylphenol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:527-54-8
Pubchem (cid):10696
Pubchem (sid):134978603
Pherobase:View
Publications by US Patents
3,946,080 - Flavouring and perfuming ingredients
Furfurylthioacetone

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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2907.19.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 136.19383239746
Melting Point 108 to 110°C @ 760 mm Hg
Boiling Point 248 to 249°C @ 760 mm Hg
Vapor Pressure 0.015 mmHg @ 25 °C
Flash Point TCC Value 109.1 °C TCC
logP (o/w) 2.911 est
Solubility
alcohol Yes
water, 667.6 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Flavor Type: Phenolic
phenolic

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:
natural substances and extractives
Recommendation for 3,4,5-trimethyl phenol usage levels up to:
not for fragrance use.
Recommendation for 3,4,5-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):527-54-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10696
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3,4,5-trimethylphenol
Chemidplus:0000527548