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2,4,5-trimethyl phenol

Chemical Structure

General Material Information

Preferred name 2,4,5-trimethyl phenol
Trivial Name Pseudocumenol
Short Description pseudocumenol
Formula C9 H12 O
CAS Number 496-78-6
ECHA Number 207-832-5
FDA UNII 3PCA9E425C
Nikkaji Number J6.099B
Beilstein Number 2040904
MDL MFCD00020050
xLogP3-AA 2.70 (est)
NMR Predictor External link
Synonyms
  • pseudo cumenol
  • 1-hydroxy-2,4,5-trimethyl benzene
  • 1-hydroxy-2,4,5-trimethylbenzene
  • 5-hydroxypseudocumene
  • phenol, 2,4,5-trimethyl-
  • 2,4,5-trimethylphenol
  • 2,4,5-trimethylphenol
  • Pseudocumenol
  • 1-Hydroxy-2,4,5-trimethylbenzene
  • 5-Hydroxypseudocumene
  • NSC 38776

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
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 136.19383239746
Vapor Pressure 0.04 mmHg @ 25 °C
Flash Point TCC Value 102.3 °C TCC
logP (o/w) 2.899 est
Solubility
alcohol Yes
water, 667.6 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Phenolic
phenolic, chemical
General comment At 10.00 % in dipropylene glycol. phenolic chemical
Flavor Type: Phenolic
phenolic
General comment Phenolic

Occurrences

Safety Information

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:
intraperitoneal-mouse LD > 500 mg/kg
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 225, 1954.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
natural substances and extractives
Recommendation for 2,4,5-trimethyl phenol usage levels up to:
not for fragrance use.
Recommendation for 2,4,5-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):496-78-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10335
National Institute of Allergy and Infectious Diseases:Data
2,4,5-trimethylphenol
Chemidplus:0000496786