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

2-sec-butyl phenol
phenol, 2-sec-butyl-

Supplier Sponsors

Name:2-butan-2-ylphenol
CAS Number: 89-72-5Picture of molecule3D/inchi
Other(deleted CASRN):28449-95-8
ECHA EINECS - REACH Pre-Reg:201-933-8
FDA UNII: 025P24OTM5
Nikkaji Web:J3.214J
Beilstein Number:1210026
MDL:MFCD00002225
XlogP3:3.40 (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.
Melting Point: 16.00 °C. @ 760.00 mm Hg
Boiling Point: 228.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.100000 mmHg @ 25.00 °C. (est)
Flash Point: 234.00 °F. TCC ( 112.22 °C. )
logP (o/w): 3.270
Soluble in:
 water, 464 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-sec-Butylphenol
Penta International
ORTHO SEC-BUTYLPHENOL
Santa Cruz Biotechnology
For experimental / research use only.
2-sec-Butylphenol
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-sec-Butylphenol 98%
sds
TCI AMERICA
For experimental / research use only.
2-sec-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:
oral-guinea pig LD50 600 mg/kg
"Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 84, 1986.

intraperitoneal-mouse LD50 63 mg/kg
Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.

intravenous-mouse LD50 60 mg/kg
BEHAVIORAL: SLEEP
Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.

oral-rat LD50 320 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0572448

Dermal Toxicity:
skin-guinea pig LD50 600 mg/kg
"Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 84, 1986.

skin-rabbit LD50 5560 mg/kg
SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
National Technical Information Service. Vol. OTS0572448

Inhalation Toxicity:
inhalation-rat LC50 > 290 ppm/4H
National Technical Information Service. Vol. OTS0572448
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for 2-sec-butyl phenol usage levels up to:
 not for fragrance use.
 
Recommendation for 2-sec-butyl phenol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):89-72-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6984
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-butan-2-ylphenol
Chemidplus:0000089725
EPA/NOAA CAMEO:hazardous materials
RTECS:89-72-5
 
References:
 2-butan-2-ylphenol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:89-72-5
Pubchem (cid):6984
Pubchem (sid):134972990
 
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):C14138
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2907.19.2000
ChemSpider:View
Formulations/Preparations:
•2-(1-methylpropyl)phenol is obtained with high selectivity by reaction of phenol with n-butenes at 250-300 deg c using gamma- aluminum trioxide as catalyst and at a pressure of 3.5-8.0 mpa which keeps both reactants in the liquid phase. •product purity is about 98%.
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-(butan-2-yl)phenol
2-butan-2-ylphenol
2-(2-butyl)phenol
2-(sec-butyl)phenol
2-sec-butylphenol
o-sec-butylphenol
ortho-sec-butylphenol
2-(methylpropyl)phenol
2-(1-methylpropyl)phenol
 phenol, 2-(1-methylpropyl)-
 phenol, 2-sec-butyl-
 phenol, o-sec-butyl-
 

Articles:

PubMed:Isolation and characterization of fenobucarb-degrading bacteria from rice paddy soils.
PubMed:Isolation and characterization of a novel 2-sec-butylphenol-degrading bacterium Pseudomonas sp. strain MS-1.
PubMed:Determination of four kinds of carbamate pesticides by capillary zone electrophoresis with amperometric detection at a polyamide-modified carbon paste electrode.
PubMed:Spectroscopic study of dinitrophenol herbicide sorption on smectite.
PubMed:Changing the substrate reactivity of 2-hydroxybiphenyl 3-monooxygenase from Pseudomonas azelaica HBP1 by directed evolution.
PubMed:Catalytic mechanism of 2-hydroxybiphenyl 3-monooxygenase, a flavoprotein from Pseudomonas azelaica HBP1.
PubMed:Induction of CYP102 (cytochrome P450BM-3) in Bacillus megaterium by 17 beta-estradiol and 4-sec-butylphenol.
PubMed:Validation of a modified spectrophotometric method for the determination of nitrate in dry milk using 2-sec-butylphenol.
PubMed:Spectrophotometric determination of nitrate in vegetable products using 2-sec-butylphenol.
PubMed:[Absorption of DNBP (4,6-dinitro-2-sec-butylphenol) and DNPP (4,6-dinitro-2-isopropylphenol) through the skin of rats].
 
Notes:
None found
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