2-tert-Butylphenol

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Names

[ CAS No. ]:
88-18-6

[ Name ]:
2-tert-Butylphenol

[Synonym ]:
EINECS 201-807-2
2-tert-Butyl phen01
2-(2-Methyl-2-propanyl)phenol
o-tert-butyl-pheno
2-t-Butylphenol
O-T-BUTYLPHENOL
o-tert-butylphenol
o-reft-Butyl phenol
ortho-tert-butylphenol
Butylphenol
2-tert-Butylphenol
Phenol, (1,1-dimethylethyl)-
2-t-BuC6H4OH
OTBP
Phenol, 2-(1,1-dimethylethyl)-
MFCD00002223

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
221.0±0.0 °C at 760 mmHg

[ Melting Point ]:
−7 °C(lit.)

[ Molecular Formula ]:
C₁₀H₁₄O

[ Molecular Weight ]:
150.218

[ Flash Point ]:
98.9±8.2 °C

[ Exact Mass ]:
150.104462

[ PSA ]:
20.23000

[ LogP ]:
3.17

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.514

[ Water Solubility ]:
0.23 g/100 mL (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SJ8921000

CHEMICAL NAME :: Phenol, o-(tert-butyl)-

CAS REGISTRY NUMBER :: 88-18-6

BEILSTEIN REFERENCE NO. :: 1907120

LAST UPDATED :: 199712

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C10-H14-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 82 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 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 9086 ng/kg/12D-I

TOXIC EFFECTS :: Liver - other changes Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.)

REFERENCE :: BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year: 45,935,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1072 No. of Facilities: 221 (estimated) No. of Industries: 3 No. of Occupations: 6 No. of Employees: 8300 (estimated) No. of Female Employees: 239 (estimated)

Safety Information

[ Symbol ]:

GHS05, GHS06, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H311-H314-H330-H400

[ Precautionary Statements ]:
P260-P273-P280-P284-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
T:Toxic;N:Dangerousfortheenvironment;

[ Risk Phrases ]:
R22;R23;R34;R51/53

[ Safety Phrases ]:
S26-S36/37/39-S45-S61

[ RIDADR ]:
UN 2922 8/PG 2

[ WGK Germany ]:
2

[ RTECS ]:
SJ8921000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
29071900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

tert-Butanol
Phenol
Methylmagnesium chloride
2-(tert-butoxycarbonyloxy)acetophenone
2-Methylbut-2-ene
Isobutylene
Phenyl-t-butylether
3-(tert-butyl)bicyclo[3.1.0]hex-3-en-2-one
2-Bromo-2-methylpropane

DownStream

3-tert-butyl-4-methoxybenzaldehyde
2-Fluorophenol
2-tert-Butyl-1,4-benzoquinone
tert-Butylhydroquinone
Cyclohexane,(1,1-dimethylethyl)-
2-tert-butylcyclohexanone
Cyclohexanol,2-(1,1-dimethylethyl)-, (1R,2S)-rel-
Cyclohexanol,2-(1,1-dimethylethyl)-, (1R,2R)-rel-
4-tert-Butyl-2,6-dinitrophenol
2-tert-butyl-6-[(2-propan-2-ylanilino)methylidene]cyclohexa-2,4-dien-1-one

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

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

J. Med. Chem. 48 , 3269-79, (2005)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...

Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.

J. Med. Chem. 48 , 7234-42, (2005)

In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspas...

Isolation and characterization of a novel 2-sec-butylphenol-degrading bacterium Pseudomonas sp. strain MS-1.

Biodegradation 21(2) , 157-65, (2010)

A novel bacterium capable of utilizing 2-sec-butylphenol as the sole carbon and energy source, Pseudomonas sp. strain MS-1, was isolated from freshwater sediment. Within 30 h, strain MS-1 completely d...