2,4-Di-t-butylphenol

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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

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

  • 2-(dimethylaminomethyl)-4,6-ditert-butyl-phenol
  • 2,6-Di-tert-butylphenol
  • Phenol
  • Isobutylene
  • 2-Bromo-2-methylpropane
  • 2-Methylbut-2-ene
  • Benzene,1,3-bis(1,1-dimethylethyl)-
  • tert-butyl chloride
  • tert-Butanol
  • 5,7-ditert-butyl-1-oxaspiro[2.5]octa-5,7-dien-4-one

DownStream

  • 1,4-Bis(2-hydroxy-3,5-di-tert-butylbenzyl)piperazine
  • 2-tert-Butyl-1,4-benzoquinone
  • 2,5-Di-tert-butyl-1,4-benzoquinone
  • 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-butylphenol
  • 2-(2'-Hydroxy-3',5'-di-tert-butylphenyl)-5-chlorobenzotriazole
  • 3,5-Di-tert-butyl-2-hydroxybenzaldehyde
  • 2-(dimethylaminomethyl)-4,6-ditert-butyl-phenol
  • Methylimino-2,2'-dimethylene-bis-(4,6-di-tert-butyl-phenol)
  • 6,8-di-tert-butyl-3-(3,5-di-tert-butyl-2-hydroxybenzyl)-2H-3,4-dihydrobenz[e]-1,3-oxazine

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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Related Compounds

  • 2,4-di-t-butylphenol sodium salt
  • 2,4-di-t-butylphenol-6(2'-nitrophenylazo)phenol
  • 2,4-DI-T-BUTYL-6-ISOPROPYLPHENOL
  • 2,4-Di-tert-butyl-6-methylphenol
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