4-(2-Butyl)phenol

Modify Date: 2024-01-02 18:17:29

4-(2-Butyl)phenol Structure
4-(2-Butyl)phenol structure
Common Name 4-(2-Butyl)phenol
CAS Number 99-71-8 Molecular Weight 150.21800
Density 0.972g/cm3 Boiling Point 135-136 °C25 mm Hg(lit.)
Molecular Formula C10H14O Melting Point 46-59 °C(lit.)
MSDS USA Flash Point 240 °F
Symbol GHS05 GHS09
GHS05, GHS09
Signal Word Danger

 Names

Name 4-sec-Butylphenol
Synonym More Synonyms

 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)

 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
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

 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%

 Articles4

More Articles
Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

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...

 Synonyms

4-butan-2-ylphenol
EINECS 202-781-5
MFCD00002375
4-(2-Butyl)phenol