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

2-tert-butyl-para-cresol
phenol, (1,1-dimethylethyl)-4-methyl-

Supplier Sponsors

Name: 2-tert-butyl-4-methylphenol
CAS Number: 2409-55-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:219-314-6
FDA UNII:Y9VVU7G7J4
Nikkaji Web:J48.502K
Beilstein Number:1817645
MDL:MFCD00002381
XlogP3:3.60 (est)
Molecular Weight:164.24772000
Formula:C11 H16 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:cosmetic and fragrance agents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:clear tan solid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 51.00 to 52.00 °C. @ 760.00 mm Hg
Boiling Point: 237.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.030000 mmHg @ 25.00 °C. (est)
Flash Point: 212.00 °F. TCC ( 100.00 °C. )
logP (o/w): 3.877 (est)
Soluble in:
 alcohol
 water, 101.3 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: leathery
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
Substantivity:400 hour(s) at 10.00 % in dipropylene glycol
medicinal leathery
Odor Description:at 100.00 %. cresol medicinal leather
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-tert-Butyl-4-methylphenol
Carbosynth
For experimental / research use only.
2-tert-Butyl-4-methylphenol
EMD Millipore
For experimental / research use only.
2-tert-Butyl-4-methylphenol
Santa Cruz Biotechnology
For experimental / research use only.
2-tert-Butyl-4-methylphenol
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-tert-Butyl-4-methylphenol 99%
TCI AMERICA
For experimental / research use only.
2-tert-Butyl-p-cresol >98.0%(GC)
 
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
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.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):2409-55-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :17004
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-tert-butyl-4-methylphenol
Chemidplus:0002409554
RTECS:GO7000000 for cas# 2409-55-4
 
References:
  2-tert-butyl-4-methylphenol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2409-55-4
Pubchem (cid):17004
Pubchem (sid):134982707
 
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
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
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-
 

Articles:

PubMed:Pharmacological actions of thymol and an analogue at GABAB autoreceptors.
PubMed:2-Benzhydryl-6-tert-butyl-4-methyl-phenol.
PubMed: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.
PubMed:Cytotoxicity and apoptosis induction by butylated hydroxyanisole (BHA) and butylated hydroxytoluene (BHT).
PubMed:Interaction of 1-hydroxyethyl radical with antioxidant enzymes.
PubMed:Capillary gas chromatographic assay of camphor and m-cresol in dermatological creams.
PubMed:Effects of phenolic antioxidants in low dose combination on forestomach carcinogenesis in rats pretreated with N-methyl-N'-nitro-N-nitrosoguanidine.
PubMed:Structure-activity relations in promotion of rat urinary bladder carcinogenesis by phenolic antioxidants.
PubMed:Early proliferative responses of forestomach and glandular stomach of rats treated with five different phenolic antioxidants.
PubMed:Free radical intermediates during peroxidase oxidation of 2-t-butyl-4-methoxyphenol, 2,6-di-t-butyl-4-methylphenol, and related phenol compounds.
PubMed:Modification of N-methyl-N'-nitro-N-nitrosoguanidine-induced forestomach and glandular stomach carcinogenesis by phenolic antioxidants in rats.
PubMed: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.
PubMed:Role of free radicals in the mode of action of anthralin.
PubMed:Studies on antioxidants: their carcinogenic and modifying effects on chemical carcinogenesis.
PubMed:Effect of monocyclic derivatives on DNA repair in human lymphocytes.
PubMed: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.
PubMed:Pharmacologic and genetic studies on the modulatory effects of butylated hydroxytoluene on mouse lung adenoma formation.
 
Notes:
None found
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