4-sec-butyl phenol

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phenol, 4-(1-methylpropyl)-

CAS: 99-71-8 C10 H14 O MW: 150.22078000

Identification

Name4-sec-butyl phenol
IUPAC4-butan-2-ylphenol
CAS Number99-71-8
EINECS202-781-5
FDA UNIIWU4KME5B3X
Molecular FormulaC10 H14 O
Molecular Weight150.22078000
MDL NumberMFCD00002375
Nikkaji NumberJ362J
Beilstein1364714
XlogP33.10 (est)

Regulatory

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, 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
Insoluble in water

No sensory data available

Safety Information

Preferred SDSView
Oral/Parenteral Toxicityoral-rat LD50 2450 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA\nPERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE\nGASTROINTESTINAL: OTHER CHANGES']

Safety in Use

Categorynatural substances and extractives
Recommendation for 4-sec-butyl phenol usage levels up tonot for fragrance use.
Recommendation for 4-sec-butyl phenol flavor usage levels up tonot for flavor use.

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Potential Uses

None Found

Natural Occurrence

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- 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.