2,4-Di-t-butylphenol

Names

[ CAS No. ]:
96-76-4

[ Name ]:
2,4-Di-t-butylphenol

[Synonym ]:
2,4-ditert-butylphenol
2,4-Di-tert-butyl-phenol
phenol, 2,4-di-t-butyl-
2,4-Bis(2-methyl-2-propanyl)phenol
4,6-di-tert-butylphenol
Phenol, 2,4-bis(1,1-dimethylethyl)-
1-Hydroxy-2,4-di-tert-butylbenzene
2,4-Di-t-butylphenol
MFCD00008828
EINECS 202-532-0
2,4-Di-tert-butylphenol
2,4-Bis(1,1-dimethylethyl)phenol

Biological Activity

[Description]:

2,4-Di-tert-butylphenol is an endogenous metabolite.

[Related Catalog]:

Research Areas >> Metabolic Disease

[Target]

Human Endogenous Metabolite

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
265.5±9.0 °C at 760 mmHg

[ Melting Point ]:
53-56 °C(lit.)

[ Molecular Formula ]:
C₁₄H₂₂O

[ Molecular Weight ]:
206.324

[ Flash Point ]:
115.0±0.0 °C

[ Exact Mass ]:
206.167068

[ PSA ]:
20.23000

[ LogP ]:
4.86

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.499

[ Stability ]:
Stable. Combustible. Incompatible with acid chlorides, oxidizing agents, acid anhydrides, copper, copper alloys, bases, brass.

[ Water Solubility ]:
practically insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SK8260000

CHEMICAL NAME :: Phenol, 2,4-di-tert-butyl-

CAS REGISTRY NUMBER :: 96-76-4

BEILSTEIN REFERENCE NO. :: 1910383

LAST UPDATED :: 199806

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C14-H22-O

MOLECULAR WEIGHT :: 206.36

WISWESSER LINE NOTATION :: 1X1&1&R BQ CX1&1&1

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 :: 25 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 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 - X9390 No. of Facilities: 309 (estimated) No. of Industries: 7 No. of Occupations: 13 No. of Employees: 7488 (estimated) No. of Female Employees: 25 (estimated)

Safety Information

[ Symbol ]:

GHS07, GHS09

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H410

[ Precautionary Statements ]:
P273-P305 + P351 + P338-P501

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;N:Dangerousfortheenvironment;

[ Risk Phrases ]:
R22;R36/38;R43;R50/53

[ Safety Phrases ]:
S26-S36/37-S61-S37/39-S29-S24-S45-S36/37/39

[ RIDADR ]:
UN 2430 8/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
SK8260000

[ Packaging Group ]:
III

[ Hazard Class ]:
9

[ HS Code ]:
29071900

Synthetic Route

Click to get detail 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%

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