 Home > Encyclopedia > 1,4-Di-tert-butylbenzene

1,4-Di-tert-butylbenzene

1,4-Di-tert-butylbenzene structure

CAS No:
1012-72-2
Formula:
C14H22
Chemical Name:
1,4-Di-tert-butylbenzene
Synonyms:
Benzene,1,4-bis(1,1-dimethylethyl)-;Benzene,p-di-tert-butyl-;1,4-Bis(1,1-dimethylethyl)benzene;p-Di-tert-butylbenzene;1,4-Di-tert-butylbenzene;p-Bis(tert-butyl)benzene;NSC 6342;1,4-Bis(tert-butyl)benzene;1,4-Di-t-butylbenzene;1,4-Ditert-butylbenzene
Categories:
Chemical Reagents > Organic Reagents

Request for Quotation

Description

white crystals or crystalline powder

1,4-Di-tert-butylbenzene Basic Attributes

Molecular Weight：

190.32

Exact Mass：

190.32

BRN：

1617000

EC Number：

213-790-9

UNII：

55PTX4KH71

NSC Number：

6342

DSSTox ID：

DTXSID4061410

HScode：

29029090

Characteristics

PSA：

XLogP3：

5.3

Appearance：

white crystalline

Density：

0.985

Melting Point：

79.5 °C

Boiling Point：

238 °C

Flash Point：

236°C

Refractive Index：

1.4955 (estimate)

Water Solubility：

Insoluble in water. Soluble in ethanol, benzene, carbon tetrachloride.

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.0744mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

50/53

safety instructions：

22-24/25-60-61

RTECS Number：

CY8444000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H400

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,4-di-tert-butylbenzene

1,4-Di-tert-butylbenzene Use and Manufacturing

Methods of Manufacturing

Under rapid stirring, pass the dry isobutylene into the mixture of benzene and sulfuric acid. The reaction is exothermic. The reaction temperature is about 15°C. The air is ventilated for 1-1.5h, and the reaction is stirred for 1h. The sulfuric acid layer is separated and a small amount of water is added to the oil layer. That is, 1,4-di-tert-butylbenzene crystals are precipitated. Fractional distillation of the oil layer yields benzene, tert-butylbenzene and p-di-tert-butylbenzene.

Uses

Organic synthesis intermediate.

Manufacturing Info：

Benzene, 1,4-bis(1,1-dimethylethyl)-: ACTIVE

Computed Properties

Molecular Weight:190.32
XLogP3:5.3
Rotatable Bond Count:2
Exact Mass:190.172150702
Monoisotopic Mass:190.172150702
Heavy Atom Count:14
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes