4-(2-Butyl)phenol
Names
[ CAS No. ]:
99-71-8
[ Name ]:
4-(2-Butyl)phenol
[Synonym ]:
4-butan-2-ylphenol
EINECS 202-781-5
MFCD00002375
4-(2-Butyl)phenol
Chemical & Physical Properties
[ Density]:
0.972g/cm3
[ Boiling Point ]:
135-136 °C25 mm Hg(lit.)
[ Melting Point ]:
46-59 °C(lit.)
[ Molecular Formula ]:
C10H14O
[ Molecular Weight ]:
150.21800
[ Flash Point ]:
240 °F
[ Exact Mass ]:
150.10400
[ PSA ]:
20.23000
[ LogP ]:
2.90570
[ Index of Refraction ]:
1.5195 (20ºC)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- SJ8924000
- CHEMICAL NAME :
- Phenol, p-(sec-butyl)-
- CAS REGISTRY NUMBER :
- 99-71-8
- BEILSTEIN REFERENCE NO. :
- 1364714
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C10-H14-O
- MOLECULAR WEIGHT :
- 150.24
- WISWESSER LINE NOTATION :
- QR DY2&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2450 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Lungs, Thorax, or Respiration - chronic pulmonary edema Gastrointestinal - other changes
- REFERENCE :
- SRTCAC Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. (Tohoku University, Research Institute for Tuberculosis and Cancer, 4-1 Seiryo-machi, Sendai, Japan) V.1- 1949- Volume(issue)/page/year: 36(1-4),10,1989
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 66 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,868,1975
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 40 mg/kg
- TOXIC EFFECTS :
- Behavioral - sleep
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,1350,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1841 No. of Facilities: 688 (estimated) No. of Industries: 11 No. of Occupations: 11 No. of Employees: 19683 (estimated) No. of Female Employees: 4224 (estimated)
Safety Information
[ Symbol ]:
GHS05, GHS09
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H314-H400
[ Precautionary Statements ]:
P273-P280-P305 + P351 + P338-P310
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
[ Hazard Codes ]:
C:Corrosive;
[ Risk Phrases ]:
R34
[ Safety Phrases ]:
S26-S27-S28-S36/37/39-S45
[ RIDADR ]:
UN 2430 8/PG 2
[ WGK Germany ]:
2
[ RTECS ]:
SJ8924000
[ Packaging Group ]:
III
[ Hazard Class ]:
8
[ HS Code ]:
2907199090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2907199090
[ Summary ]:
2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
Articles
Bioorg. Med. Chem. 17 , 896-904, (2009)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...
Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.J. Med. Chem. 48 , 5666-74, (2005)
We investigated the influence of induced fit of the androgen receptor binding pocket on free energies of ligand binding. On the basis of a novel alignment procedure using flexible docking, molecular d...
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.Appl. Microbiol. Biotechnol. 97(18) , 8329-39, (2013)
The environmental pollutant 4-sec-butylphenol (4-sec-BP) which possesses estrogenic properties was transformed by the aerobic Gram-positive bacteria Mycobacterium neoaurum and Nocardia cyriacigeorgica...