2-tert-butyl-para-cresol

General Material Information

Preferred name	2-tert-butyl-para-cresol
Trivial Name	2-tert-Butyl-4-methylphenol
Short Description	phenol, (1,1-dimethylethyl)-4-methyl-
Formula	C11 H16 O
CAS Number	2409-55-4
ECHA Number	219-314-6
FDA UNII	Y9VVU7G7J4
Nikkaji Number	J48.502K
Beilstein Number	1817645
MDL	MFCD00002381
Bio Activity Summary	External link
NMR Predictor	External link
Synonyms	2-tert- butyl-4-methoxyphenol 2-tert- butyl-4-methyl phenol 2-tert- butyl-4-methyl-1-phenol 2-tert- butyl-4-methyl-phenol 2-t- butyl-4-methylphenol 2-tert- butyl-4-methylphenol 2-t- butyl-p-cresol 2-tert- butyl-p-cresol o-tert- butyl-p-cresol tert- butyl-p-cresol o-tert- butyl-para-cresol ortho-tert- butyl-para-cresol 2-(tert- butyl)-4-methyl phenol 2-(tert- butyl)-4-methylphenol 4-cresol, 2-t-butyl- p- cresol, 2-tert-butyl- 2-(1,1-dimethyl ethyl)-4-methyl phenol 2-(1,1-dimethylethyl)-4-methyl-phenol 2-(1,1-dimethylethyl)-4-methylphenol 1-hydroxy-2-tert-butyl-4-methyl benzene 1-hydroxy-2-tert-butyl-4-methylbenzene 4-methyl-2-(1,1-dimethyl ethyl) phenol 4-methyl-2-(1,1-dimethylethyl)phenol 4-methyl-2-(2-methyl-2-propanyl)phenol 4-methyl-2-t-butylphenol 4-methyl-2-tert-butyl phenol 4-methyl-2-tert-butylphenol 4-methyl-6-t-butylphenol 4-methyl-6-tert-butyl phenol 4-methyl-6-tert-butylphenol phenol, (1,1-dimethylethyl)-4-methyl- phenol, 2-(1,1-dimethylethyl)-4-methyl- phenol, 2-(1,1-dimethylethyl)-4-methyl- 2-tert-butyl-4-methylphenol p-Cresol, 2-tert-butyl- 2-(1,1-Dimethylethyl)-4-methylphenol 4-Methyl-2-tert-butylphenol 2-tert-Butyl-4-methylphenol 2-tert-Butyl-p-cresol o-tert-Butyl-p-cresol 4-Methyl-2-(1,1-dimethylethyl)phenol 4-Methyl-6-tert-butylphenol 2-tert-Butyl-4-cresol NSC 60301 6-tert-Butyl-4-methylphenol

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Literature & References

	2-tert-butyl-4-methylphenol
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	2409-55-4
Pubchem (cid):	17004
Pubchem (sid):	134982707

Publications by PubMed
Pharmacological actions of thymol and an analogue at GABAB autoreceptors.
2-Benzhydryl-6-tert-butyl-4-methyl-phenol.
Development and validation of HPLC methods for the determination of potential extractables from elastomeric stoppers in the presence of a complex surfactant vehicle used in the preparation of parenteral drug products.
Cytotoxicity and apoptosis induction by butylated hydroxyanisole (BHA) and butylated hydroxytoluene (BHT).
Interaction of 1-hydroxyethyl radical with antioxidant enzymes.
Capillary gas chromatographic assay of camphor and m-cresol in dermatological creams.
Effects of phenolic antioxidants in low dose combination on forestomach carcinogenesis in rats pretreated with N-methyl-N'-nitro-N-nitrosoguanidine.
Structure-activity relations in promotion of rat urinary bladder carcinogenesis by phenolic antioxidants.
Early proliferative responses of forestomach and glandular stomach of rats treated with five different phenolic antioxidants.
Free radical intermediates during peroxidase oxidation of 2-t-butyl-4-methoxyphenol, 2,6-di-t-butyl-4-methylphenol, and related phenol compounds.
Modification of N-methyl-N'-nitro-N-nitrosoguanidine-induced forestomach and glandular stomach carcinogenesis by phenolic antioxidants in rats.
Effects of subsequent antioxidant treatment on 7,12-dimethylbenz[a]anthracene-initiated carcinogenesis of the mammary gland, ear duct and forestomach in Sprague-Dawley rats.
Role of free radicals in the mode of action of anthralin.
Studies on antioxidants: their carcinogenic and modifying effects on chemical carcinogenesis.
Effect of monocyclic derivatives on DNA repair in human lymphocytes.
Comparison of the effects of 13 phenolic compounds in induction of proliferative lesions of the forestomach and increase in the labelling indices of the glandular stomach and urinary bladder epithelium of Syrian golden hamsters.
Pharmacologic and genetic studies on the modulatory effects of butylated hydroxytoluene on mouse lung adenoma formation.

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
CHEMBL:	View
HMDB (The Human Metabolome Database):	Search
Export Tariff Code:	2907.19.1000
ChemSpider:	View

Suppliers

BOC Sciences	Carbosynth
EMD Millipore	Santa Cruz Biotechnology
Sigma-Aldrich: Aldrich	TCI AMERICA

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	164.24772644043
Melting Point	51 to 52°C @ 760 mm Hg
Vapor Pressure	0.03 mmHg @ 25 °C
Flash Point TCC Value	100 °C TCC
logP (o/w)	3.877 est
Solubility
alcohol	Yes
water, 101.3 mg/L @ 25 °C (est)	Yes
water	No

Organoleptic Properties

Odor Type: Leathery
medicinal, leathery
Odor strength	high , recommend smelling in a 1.00 % solution or less
Substantivity	400 hour(s) at 10.00 % in dipropylene glycol
General comment	At 100.00 %. cresol medicinal leather

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 34 - Causes burns. R 37 - Irritating to respiratory system. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately.

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:
oral-mouse LD50 700 mg/kg GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949. intravenous-mouse LD50 10 mg/kg U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03020 intraperitoneal-mouse LD50 144 mg/kg Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975. oral-cat LDLo 940 mg/kg BEHAVIORAL: COMA BEHAVIORAL: TREMOR PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE National Technical Information Service. Vol. OTS0571339 oral-guinea pig LD50 1180 mg/kg BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: SLEEP Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS. Vol. 12, Pg. 124, 1971. oral-rabbit LDLo 2100 mg/kg PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: TREMOR BEHAVIORAL: COMA National Technical Information Service. Vol. OTS0571339 oral-rat LD50 2500 mg/kg BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS. Vol. 12, Pg. 124, 1971.
Dermal Toxicity:
skin-rabbit LDLo 2200 mg/kg Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.
Inhalation Toxicity:
Not determined

Safety in use information

Category:
cosmetic and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 2-tert-butyl-para-cresol usage levels up to:
	0.0200 % in the fragrance concentrate.

Recommendation for 2-tert-butyl-para-cresol flavor usage levels up to:
	not for flavor use.