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1,4-Diisopropylbenzene

1,4-Diisopropylbenzene structure

CAS No:
100-18-5
Formula:
C12H18
Chemical Name:
1,4-Diisopropylbenzene
Synonyms:
Benzene,1,4-bis(1-methylethyl)-;Benzene,p-diisopropyl-;1,4-Bis(1-methylethyl)benzene;p-Diisopropylbenzene;1,4-Diisopropylbenzene;p-Di-iso-propylbenzene;NSC 84198;1,4-Bis(isopropyl)benzene;1,4-Di(propan-2-yl)benzene;1,4-Bis(propan-2-yl)benzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR COLOURLESS LIQUID

GasVapor; Liquid

1,4-Diisopropylbenzene Basic Attributes

Molecular Weight：

162.276

Exact Mass：

162.27

EC Number：

202-826-9

UNII：

5M62031NZP

NSC Number：

84198

DSSTox ID：

DTXSID2026652

Color/Form：

Liquid

HScode：

29029090

Characteristics

PSA：

XLogP3：

4.9

Appearance：

GasVapor; Liquid

Density：

0.8568 g/cm³ @ Temp: 20 °C

Melting Point：

-17.1 °C

Boiling Point：

210.3 °C @ Press: 760 Torr

Flash Point：

170 °F

Refractive Index：

n 20/D 1.489(lit.)

Water Solubility：

Sol in all proportions of alcohol, ether, acetone, benzene.

Vapor Pressure：

0.25 mm Hg ( 20 °C)

Vapor Density：

5.6 (vs air)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3082 9/PG 3

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36

RTECS Number：

CZ6360000

Marks：

Precautionary statement(s)：

P210, P280, P370+P378, P403+P235, P501

Hazard Statements：

H227

GHS Classification：

|Warning|H315 (75.86%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P261, P264, P271, P273, P280, P281, P302+P352, P304+P340, P308+P313, P312, P321, P332+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 63 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H227: Combustible liquid [Warning Flammable liquids]|P210, P280, P370+P378, P403+P235, and P501

Toxicity

Bioconcentration：

1.74e+03

Water Concentrations：

ISOMERS IMPART A SPECIFIC SMELL TO WATER BUT HAVE NO SIGNIFICANT EFFECT ON SANITATION OF WATER BODIES. HYGIENIC STANDARD LEVEL FOR BOTH SUBSTANCES IN WATER SHOULD BE SET @ LEVEL OF 0.05 MG/LITER.

Drug Information

Biological Half-Life：

3.98 Days

1,4-Diisopropylbenzene Use and Manufacturing

Methods of Manufacturing

ALKYLATION OF BENZENE OR CUMENE WITH PROPYLENE IN THE PRESENCE OF A CATALYST FOLLOWED BY FRACTIONATION; BY-PRODUCT OF CUMENE PRODN FROM BENZENE & PROPYLENE.

Uses

Antioxidant for Rubber Manufacturing

Production

50,000,000 - 100,000,000 lb|(1979) AT LEAST 2.27X10+6 G /UNSPECIFIED ISOMER/|(1981) AT LEAST 2.27X10+6 G /UNSPECIFIED ISOMER/

Formulations：

Diisopropylbenzene ... occurs in three isomeric forms, namely as the ortho, the meta, and the para derivatives, all being flammable liquids.

Manufacturing Info：

All other basic organic chemical manufacturing|Benzene, 1,4-bis(1-methylethyl)-: ACTIVE

Computed Properties

Molecular Weight:162.27
XLogP3:4.9
Rotatable Bond Count:2
Exact Mass:162.140850574
Monoisotopic Mass:162.140850574
Heavy Atom Count:12
Complexity:100
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 100-18-5

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