EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2,4,5-trimethyl phenol
pseudocumenol

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Name:2,4,5-trimethylphenol
CAS Number: 496-78-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:207-832-5
FDA UNII: 3PCA9E425C
Nikkaji Web:J6.099B
Beilstein Number:2040904
MDL:MFCD00020050
XlogP3-AA:2.70 (est)
Molecular Weight:136.19384000
Formula:C9 H12 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 72.00 °C. @ 760.00 mm Hg
Boiling Point: 232.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.040000 mmHg @ 25.00 °C. (est)
Flash Point: 216.00 °F. TCC ( 102.30 °C. ) (est)
logP (o/w): 2.899 (est)
Soluble in:
 alcohol
 water, 667.6 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: phenolic
phenolic chemical
Odor Description:at 10.00 % in dipropylene glycol. phenolic chemical
Flavor Type: phenolic
phenolic
Taste Description: phenolic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,4,5-TRIMETHYLPHENOL
Santa Cruz Biotechnology
For experimental / research use only.
2,4,5-Trimethylphenol
 
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
 
References:
 2,4,5-trimethylphenol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):10335
Pubchem (sid):134977392
 
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
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 ham smoked ham
Search PMC Picture
 
Synonyms:
pseudocumenol
1-hydroxy-2,4,5-trimethyl benzene
1-hydroxy-2,4,5-trimethylbenzene
5-hydroxypseudocumene
 phenol, 2,4,5-trimethyl-
2,4,5-trimethylphenol
 
 
Notes:
None found
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