4-tert-Butyltoluene Chemical Properties

Melting point:

-54 °C

Boiling point:

191 °C (lit.)

Density 

0.858 g/mL at 25 °C (lit.)

vapor pressure 

1.3hPa at 30℃

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

Exposure limits

ACGIH: TWA 1 ppm
OSHA: TWA 10 ppm(60 mg/m3)
NIOSH: IDLH 100 ppm; TWA 10 ppm(60 mg/m3); STEL 20 ppm(120 mg/m3)

Dielectric constant

2.3300000000000001

Stability:

Stable. Combustible. Incompatible with strong oxidizing agents.

InChIKey

QCWXDVFBZVHKLV-UHFFFAOYSA-N

LogP

4.4

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)

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

OEB

A

OEL

TWA: 10 ppm (60 mg/m3), STEL: 20 ppm (120 mg/m3)

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)

IDLA

100 ppm

MSDS

• Language:English Provider:4-tert-Butyltoluene
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4-tert-Butyltoluene Usage And Synthesis

Description

p-tert-Butyltoluene is a colorless liquid withan aromatic gasoline-like odor. Molecular weight = 148.18;Boiling point = 193-194℃; Boiling point = 193℃;Freezing/Melting point = - 52℃; Vapor pressure =0.68 mmHg at 20℃; Flash point = 68℃. HazardIdentification (based on NFPA-704 M Rating System):Health 2, Flammability 2, Reactivity 0. Insoluble in water.

Chemical Properties

colourless liquid

Uses

4-tert-Butyltoluene is used as pharmaceutical intermediate, Solvent for resins, intermediate in organic synthesis. It is an intermediate for the production of the acaricide pyridaben.

Preparation

Synthesis of 4-tert-butyltoluene: Put toluene in the reaction kettle, add catalyst, then add tert-butane chloride, after the reaction, wash with water and layer, and the organic layer is distilled to obtain the product. Alkylation of isobutylene and toluene in the presence of sulfuric acid can also be used to produce 4-tert-butyltoluene.

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.

Potential Exposure

Human Data;Primary Irritant. This material is used as a solvent for resinsand as an intermediate in organic synthesis.

First aid

If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seekmedical attention immediately. If this chemical contactsthe skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove fromexposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing hasstopped and CPR if heart action has stopped. Transferpromptly to a medical facility. When this chemical hasbeen swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.

Carcinogenicity

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

storage

Color Code—Blue: Health Hazard/Poison: Storein a secure poison location. Prior to working with thischemical you should be trained on its proper handling andstorage. Store in tightly closed containers in a cool, wellventilated area. Sources of ignition, such as smoking andopen flames, are prohibited where this chemical is used,handled, or stored in a manner that could create a potentialfire or explosion hazard.

Shipping

Butyltoluenes require a “POISONOUS/TOXICMATERIALS” label. They fall in Hazard Class 6.1 andPacking Group III.[19, 20]

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.]

Incompatibilities

Forms explosive mixture with air. Reactswith strong oxidizers. May accumulate static electricalcharges and may cause ignition of its vapors

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