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4-sec-butyl phenol
phenol, 4-(1-methylpropyl)-

Supplier Sponsors

Name:4-butan-2-ylphenol
CAS Number: 99-71-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-781-5
FDA UNII: WU4KME5B3X
Nikkaji Web:J362J
Beilstein Number:1364714
MDL:MFCD00002375
XlogP3:3.10 (est)
Molecular Weight:150.22078000
Formula:C10 H14 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
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 Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 61.50 °C. @ 760.00 mm Hg
Boiling Point: 241.00 °C. @ 760.00 mm Hg
Boiling Point: 110.00 °C. @ 14.00 mm Hg
Vapor Pressure:0.024000 mmHg @ 25.00 °C. (est)
Flash Point: 240.00 °F. TCC ( 115.56 °C. )
logP (o/w): 3.080
Soluble in:
 alcohol
 water, 960 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
4-sec-Butylphenol ≥98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-sec-Butylphenol 96%
sds
TCI AMERICA
For experimental / research use only.
4-sec-Butylphenol >98.0%(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:
oral-rat LD50 2450 mg/kg
LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE GASTROINTESTINAL: OTHER CHANGES
Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.

intravenous-mouse LD50 40 mg/kg
BEHAVIORAL: SLEEP
Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.

intraperitoneal-mouse LD50 66 mg/kg
Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 4-sec-butyl phenol usage levels up to:
 not for fragrance use.
 
Recommendation for 4-sec-butyl phenol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):99-71-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7453
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
4-butan-2-ylphenol
Chemidplus:0000099718
RTECS:SJ8924000 for cas# 99-71-8
 
References:
 4-butan-2-ylphenol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:99-71-8
Pubchem (cid):7453
Pubchem (sid):134972052
 
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):C14139
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2907.19.8000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
4-butan-2-yl phenol
4-(butan-2-yl)phenol
4-butan-2-ylphenol
4-(2-butyl) phenol
4-(2-butyl)phenol
4-(sec-butyl)phenol
p-(sec-butyl)phenol
4-sec-butylphenol
p-sec-butylphenol
para-sec-butylphenol
1-hydroxy-4-sec-butyl benzene
1-hydroxy-4-sec-butylbenzene
4-(methylpropyl)phenol
4-(1-methylpropyl)phenol
 phenol, 4-(1-methylpropyl)-
 phenol, p-(sec-butyl)-
 phenol, p-sec-butyl-
 

Articles:

PubMed:Biotransformation of 4-sec-butylphenol by Gram-positive bacteria of the genera Mycobacterium and Nocardia including modifications on the alkyl chain and the hydroxyl group.
PubMed:Biodegradation of bisphenol A and 4-alkylphenols by Novosphingobium sp. strain TYA-1 and its potential for treatment of polluted water.
PubMed:Isolation and characterization of 4-tert-butylphenol-utilizing Sphingobium fuliginis strains from Phragmites australis rhizosphere sediment.
PubMed:Anaerobic biodegradation of 4-alkylphenols in a paddy soil microcosm supplemented with nitrate.
PubMed:Anaerobic co-metabolic oxidation of 4-alkylphenols with medium-length or long alkyl chains by Thauera sp., strain R5.
PubMed:Aerobic and anaerobic biodegradation of phenol derivatives in various paddy soils.
PubMed:Differential expression of CYP102 in Bacillus megaterium by 17-beta-estradiol and 4-sec-butylphenol.
PubMed:Regio- and stereospecific conversion of 4-alkylphenols by the covalent flavoprotein vanillyl-alcohol oxidase.
PubMed:Induction of CYP102 (cytochrome P450BM-3) in Bacillus megaterium by 17 beta-estradiol and 4-sec-butylphenol.
PubMed:4-tert-butyl-2,6-diisopropylphenol: Another phenol inducing hemorrhage in rats.
 
Notes:
None found
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