2-tert-butyl-6-methyl phenol

phenol, 2-(1,1-dimethylethyl)-6-methyl-

CAS: 2219-82-1 C11 H16 O MW: 164.24772000 leathery

Identification

Name2-tert-butyl-6-methyl phenol
IUPAC2-tert-butyl-6-methylphenol
CAS Number2219-82-1
EINECS218-734-7
FDA UNIILT9E3VZD1C
Molecular FormulaC11 H16 O
Molecular Weight164.24772000
MDL NumberMFCD00002239
Nikkaji NumberJ79.089C
Beilstein1862362
XlogP33.60 (est)

Regulatory

Physical Properties

Appearance pale yellow clear liquid (est)
Assay 99.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.96700 @ 25.00 °C.
Refractive Index 1.51900 @ 20.00 °C.
Melting Point 30.00 to 32.00 °C. @ 760.00 mm Hg
Boiling Point 230.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.053000 mmHg @ 25.00 °C. (est)
Flash Point 225.00 °F. TCC ( 107.22 °C. )
logP (o/w) 3.773 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Strength high ,
Substantivity 92 hour(s) at 10.00 % in dipropylene glycol
Odor Description at 100.00 %.
Odor sample from Sigma-Aldrich

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityintravenous-mouse LD50 120 mg/kg
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-tert-butyl-6-methyl phenol usage levels up to0.0200 % in the fragrance concentrate.
Recommendation for 2-tert-butyl-6-methyl phenol flavor usage levels up tonot for flavor use.

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Potential Uses

FR citrus FR fruit FR grapefruit FR leather waxy

Natural Occurrence

not found in nature

Synonyms

2-tert- butyl-2-methylphenol 6-t- butyl-2-methylphenol 6-tert- butyl-2-methylphenol 2-tert- butyl-6-methyl-phenol 2-tert- butyl-6-methylphenol 6-tert- butyl-o-cresol o-tert- butyl-o-cresol 6-tert- butyl-ortho-cresol 6-(tert- butyl)-2-methylphenol o- cresol, 6-tert-butyl- 2-(1,1- dimethylethyl)-6-methylphenol 2- methyl-6-tert-butyl phenol phenol, 2- (1,1-dimethylethyl)-6-methyl- phenol, 2-(1,1-dimethylethyl)-6-methyl- phenol, 2-t-butyl-6-methyl- phenol, 2-tert-butyl-6-methyl- PubMed: Formation of the N-methylpyridinium ether derivative of propofol to improve sensitivity, specificity and reproducibility of its detection in blood by liquid chromatography-mass spectrometry. PubMed: Glucuronidation of propofol and its analogs by human and rat liver microsomes. PubMed: Anaerobic biodegradability of alkylphenols and fuel oxygenates in the presence of alternative electron acceptors. PubMed: Capillary gas chromatographic assay of camphor and m-cresol in dermatological creams. PubMed: Influence of quinone methide reactivity on the alkylation of thiol and amino groups in proteins: studies utilizing amino acid and peptide models. PubMed: The enzymatic formation and chemical reactivity of quinone methides correlate with alkylphenol-induced toxicity in rat hepatocytes.