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

butylated xylenol
phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-

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Name:2-tert-butyl-4,6-dimethylphenol
CAS Number: 1879-09-0Picture of molecule3D/inchi
Other:72847-40-6
ECHA EINECS - REACH Pre-Reg:217-533-1
FDA UNII:4HZG7U1P1S
Nikkaji Web:J150.062G
Beilstein Number:1941702
XlogP3-AA:4.00 (est)
Molecular Weight:178.27466000
Formula:C12 H18 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:antioxidants
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:yellow liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 22.30 °C. @ 760.00 mm Hg
Boiling Point: 249.00 °C. @ 760.00 mm Hg
Flash Point: 228.00 °F. TCC ( 108.90 °C. ) (est)
logP (o/w): 4.090 (est)
Soluble in:
 water, 29.64 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: antioxidants
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-tert-Butyl-4,6-dimethylphenol 95%
Santa Cruz Biotechnology
For experimental / research use only.
2-tert-butyl-4,6-dimethylphenol
TCI AMERICA
For experimental / research use only.
6-tert-Butyl-2,4-xylenol >97.0%(GC)
 
Safety Information:
Preferred SDS: View
 
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-guinea pig LDLo 420 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.

oral-mouse LD50 530 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.

oral-rabbit LDLo 55 mg/kg
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.

oral-rat LDLo 1400 mg/kg
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.

Dermal Toxicity:
skin-guinea pig LDLo 7100 mg/kg
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.

skin-rabbit LDLo 17 mg/kg
LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS
National Technical Information Service. Vol. OTS0555501

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: antioxidants
Recommendation for butylated xylenol usage levels up to:
 not for fragrance use.
 
Recommendation for butylated xylenol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):1879-09-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :15884
National Institute of Allergy and Infectious Diseases:Data
2-tert-butyl-4,6-dimethylphenol
Chemidplus:0001879090
EPA/NOAA CAMEO:hazardous materials
RTECS:ZE6825000 for cas# 1879-09-0
 
References:
 2-tert-butyl-4,6-dimethylphenol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1879-09-0
Pubchem (cid):15884
Pubchem (sid):134979073
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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:2907.19.8000
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
6-t-butyl-2,4-dimethylphenol
6-tert-butyl-2,4-dimethylphenol
6-t-butyl-2,4-xylenol
6-tert-butyl-2,4-xylenol
2-tert-butyl-4,6-dimethylphenol
2,4-dimethyl-6-tert-butylphenol
 phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-
 prodox 340
 topanol A
2,4-xylenol, 6-tert-butyl-
 

Articles:

PubMed:Antioxidant activity of propofol and related monomeric and dimeric compounds.
PubMed:Measurement of plasma hydroperoxide concentration by FOX-1 assay in conjunction with triphenylphosphine.
PubMed:Reversed-phase HPLC of polymer additives with multiple on-line spectroscopic analysis (UV, IR, (1)H NMR and MS).
PubMed:Lipid hydroperoxide determination in dark chicken meat through a ferrous oxidation-xylenol orange method.
PubMed:Re-evaluation of the ferrous oxidation in xylenol orange assay for the measurement of plasma lipid hydroperoxides.
PubMed:Peroxide accumulation in detergents.
PubMed:Determination of topanol antioxidants in methacrylates using capillary gas-liquid chromatography.
PubMed:Pharmacologic and genetic studies on the modulatory effects of butylated hydroxytoluene on mouse lung adenoma formation.
 
Notes:
None found
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