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2-tert-butyl phenol
phenol, 2-(1,1-dimethylethyl)-

Supplier Sponsors

Name:2-tert-butylphenol
CAS Number: 88-18-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:201-807-2
FDA UNII: NL2FPV3N0Z
Nikkaji Web:J44.174K
Beilstein Number:1907120
MDL:MFCD00002223
XlogP3:3.30 (est)
Molecular Weight:150.22078000
Formula:C10 H14 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
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:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.98200 to 0.98500 @ 20.00 °C.
Pounds per Gallon - (est).: 8.181 to 8.206
Refractive Index:1.52200 to 1.52500 @ 20.00 °C.
Boiling Point: 223.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.100000 mmHg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 3.310
Soluble in:
 water, 700 mg/L @ 25 °C (exp)
 water, 428.9 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-tert-Butylphenol
Charkit Chemical
BUTYLPHENOL, O-TERT-
EMD Millipore
For experimental / research use only.
2-tert-Butylphenol
sds
Santa Cruz Biotechnology
For experimental / research use only.
2-tert-Butylphenol
Sigma-Aldrich: Aldrich
For experimental / research use only.
ortho-tert-Butylphenol 99%
sds
TCI AMERICA
For experimental / research use only.
2-tert-Butylphenol >97.0%(GC)
sds
 
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:
intraperitoneal-mouse LD50 82 mg/kg
Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.

oral-rat LD50 440 mg/kg
BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0558707

Dermal Toxicity:
skin-rabbit LD50 7450 mg/kg
National Technical Information Service. Vol. OTS0558707

skin-rat LD50 705 mg/kg
BEHAVIORAL: COMA SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
National Technical Information Service. Vol. OTS0558758

Inhalation Toxicity:
inhalation-rat LC50 1070 mg/m3/4H
National Technical Information Service. Vol. OTS0558707
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for 2-tert-butyl phenol usage levels up to:
 not for fragrance use.
 
Recommendation for 2-tert-butyl phenol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):88-18-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6923
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-tert-butylphenol
Chemidplus:0000088186
RTECS:88-18-6
 
References:
 2-tert-butylphenol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:88-18-6
Pubchem (cid):6923
Pubchem (sid):134972024
 
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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C14130
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2907.19.2000
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-butylphenol
o-tert-butylphenol
2-(2-methyl-2-propanyl)phenol
 phenol, 2-(1,1-dimethylethyl)-
 

Articles:

PubMed:Nickel supported carbon nanofibers as an active and selective catalyst for the gas-phase hydrogenation of 2-tert-butylphenol.
PubMed:Elevated susceptibility of newborn as compared with young rats to 2-tert-butylphenol and 2,4-di-tert-butylphenol toxicity.
PubMed:Chemical category approach of genotoxicity studies for branched alkylphenols.
PubMed:Shaping of mesoporous AISBA-15 as cylindrical nano reactor for tertiary butylation of phenol.
PubMed:In vitro profiling of endocrine disrupting effects of phenols.
PubMed:Dioxygen activation by an organometallic Pd(II) precursor: formation of a Pd(IV)-OH complex and its C-O bond formation reactivity.
PubMed:Synthesis of 3-tert-butylcatechol by an engineered monooxygenase.
PubMed:Preparation of metal wire supported solid-phase microextraction fiber coated with multi-walled carbon nanotubes.
PubMed:Changing the substrate reactivity of 2-hydroxybiphenyl 3-monooxygenase from Pseudomonas azelaica HBP1 by directed evolution.
PubMed:Determination of antioxidants in new and used lubricant oils by headspace-programmed temperature vaporization-gas chromatography-mass spectrometry.
PubMed:Effect of glucose on the interaction of hydrophobic compounds with the alanine receptor field of Bacillus subtilis spores during initiation of germination.
PubMed:Isolation and characterization of a novel 2-sec-butylphenol-degrading bacterium Pseudomonas sp. strain MS-1.
PubMed:Sterically hindered phenols in negative ion mobility spectrometry-mass spectrometry.
PubMed:Effects of dietary and in vitro 2(3)-t-butyl-4-hydroxy-anisole and other phenols on hepatic enzyme activities in mice.
PubMed:Effect of different drugs on a cytochrome c--phospholipid bilayer membrane.
PubMed:Thermochemical and Theoretical Study of tert-Butyl and Di-tert-butylphenol Isomers.
PubMed:Inhibitory effects of phenolic compounds on benzo(a)pyrene-induced neoplasia.
 
Notes:
None found
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