2,4,5-trimethyl phenol, 496-78-6

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CODE141813 CODE141813
Product(s):
496-78-6 2,4,5-TRIMETHYLPHENOL

Name:	2,4,5-trimethylphenol
CAS Number:	496-78-6	3D/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:

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

Articles:

US Patents:3,946,080 - Flavouring and perfuming ingredients

PubMed:Rate constants for the reactions of OH radicals with 1,2,4,5-tetramethylbenzene, pentamethylbenzene, 2,4,5-trimethylbenzaldehyde, 2,4,5-trimethylphenol, and 3-methyl-3-hexene-2,5-dione and products of OH + 1,2,4,5-tetramethylbenzene.

US Patents:Furfurylthioacetone

Notes:

None found

2,4,5-trimethyl phenol pseudocumenol

Supplier Sponsors

Articles:

2,4,5-trimethyl phenol
pseudocumenol