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4-tert-Butyltoluene

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4-tert-Butyltoluene Basic information

Product Name:
4-tert-Butyltoluene
Synonyms:
  • 4-TERT-BUTYLTOLUENE
  • 1-TERT-BUTYL-4-METHYL BENZENE
  • 1-METHYL-4-TERT-BUTYLBENZENE
  • p-Methyl-tert-butylbenzene
  • P-TERT-BUTYLTOLUENE
  • P-T-BUTYLTOLUENE
  • tbt
  • TERT-BUTYL TOLUENE
CAS:
98-51-1
MF:
C11H16
MW:
148.24
EINECS:
202-675-9
Product Categories:
  • Arenes
  • Building Blocks
  • Organic Building Blocks
Mol File:
98-51-1.mol
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4-tert-Butyltoluene Chemical Properties

Melting point:
-54 °C
Boiling point:
191 °C(lit.)
Density 
0.858 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.492(lit.)
Flash point:
150 °F
storage temp. 
Flammables area
solubility 
0.06 g/100 mL (20°C)
form 
Liquid
color 
Clear colorless to faint yellow
explosive limit
0.7-7%(V)
Water Solubility 
0.06 g/100 mL (20 ºC)
BRN 
2038670
Stability:
Stable. Combustible. Incompatible with strong oxidizing agents.
InChIKey
QCWXDVFBZVHKLV-UHFFFAOYSA-N
CAS DataBase Reference
98-51-1(CAS DataBase Reference)
NIST Chemistry Reference
4-Tert-butyltoluene(98-51-1)
EPA Substance Registry System
p-tert-Butyltoluene (98-51-1)
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Safety Information

Hazard Codes 
Xn,T,N
Risk Statements 
10-20/21/22-36/37/38-23-22-52/53-51/53
Safety Statements 
16-26-36/37/39-45-28A-61
RIDADR 
UN 1993 3/PG 3
WGK Germany 
2
RTECS 
XS8400000
TSCA 
Yes
HazardClass 
6.1
PackingGroup 
III
HS Code 
29029080
Hazardous Substances Data
98-51-1(Hazardous Substances Data)

MSDS

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4-tert-Butyltoluene Usage And Synthesis

Chemical Properties

colourless liquid

Uses

Solvent, intermediate.

Uses

Solvent for resins; intermediate in organic synthesis

Synthesis Reference(s)

Synthetic Communications, 21, p. 1273, 1991 DOI: 10.1080/00397919108021046

General Description

Clear colorless liquid with an aromatic gasoline-like odor.

Air & Water Reactions

Flammable. Insoluble in water.

Reactivity Profile

4-tert-Butyltoluene may react with oxidizing materials.

Hazard

Toxic by inhalation, ingestion, and skin absorption. Eye and upper respiratory tract irritant.

Health Hazard

p-tert-Butyl toluene is an irritant of the mucous membranes, a central nervous system depressant and may cause cardiovascular and hematologic disturbances; chronic exposure in animals causes lung, brain, liver, and kidney damage.

Fire Hazard

4-tert-Butyltoluene is combustible.

Safety Profile

Moderately toxic by inhalation and ingestion. A skin and human eye irritant. Human systemic effects by inhalation: nausea or vomiting, conjunctiva irritation, unspecified effects on the sense of taste. Inhalation of vapors causes irritation of lungs and depression of central nervous system. Prolonged exposure may result in damage to liver and kidneys. Flammable when exposed to heat or flame. Incompatible with oxidizing materials. When heated to decomposition it emits acrid smoke and fumes.

Carcinogenicity

p-tert-Butyl toluene was not mutagenic in a number of bacterial strains in the Ames assay with or without metabolic activation.

Purification Methods

A sample containing 5% of the meta-isomer is purified by selective mercuration. Fractional distillation of the solid arylmercuric acetate, after removal from the residual hydrocarbon, gives pure p-tert-butyltoluene [Stock & Brown J Am Chem Soc 81 5615 1959]. [Beilstein 5 H 439, 5 III 1003, 5 IV 1079.]

4-tert-Butyltoluene Preparation Products And Raw materials

Raw materials

Preparation Products

4-tert-ButyltolueneSupplier

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