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1,3-Diisopropylbenzene

1,3-Diisopropylbenzene structure

CAS No:
99-62-7
Formula:
C12H18
Chemical Name:
1,3-Diisopropylbenzene
Synonyms:
Benzene,1,3-bis(1-methylethyl)-;Benzene,m-diisopropyl-;1,3-Bis(1-methylethyl)benzene;1,3-Diisopropylbenzene;m-Di-iso-propylbenzene;m-Diisopropylbenzene;m-Diisopropylbenzene;3,5-Diisopropylbenzene;1,3-Di(propan-2-yl)benzene;1,3-Bis(propan-2-yl)benzene
Categories:
Organic Chemistry > Heterocyclic Ring

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Description

CLEAR COLOURLESS LIQUID

Liquid

1,3-Diisopropylbenzene Basic Attributes

Molecular Weight：

162.276

Exact Mass：

162.27

EC Number：

202-773-1

UNII：

482VXW192E

DSSTox ID：

DTXSID8026640

Color/Form：

COLORLESS LIQ

HScode：

2902909090

Characteristics

PSA：

XLogP3：

4.50

Appearance：

Liquid

Density：

0.8559 g/cm³ @ Temp: 20 °C

Melting Point：

-61 °C

Boiling Point：

203.2 °C @ Press: 760 Torr

Flash Point：

170 °F

Refractive Index：

n20/D 1.488(lit.)

Water Solubility：

Soluble in water 4.33 mg/L at 25°C.

Vapor Pressure：

1 mm Hg at 34.7 deg C

Autoignition Temperature：

840 °F.

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3082 9/PG 3

wgk germany：

hazard class code：

safety instructions：

S24/25

RTECS Number：

CZ6334000

Precautionary statement(s)：

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

Hazard Statements：

H227

GHS Classification：

|Warning|H335 (91.67%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]|P201, P202, P261, P271, P273, P281, P304+P340, P308+P313, P312, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 15 companies from 3 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：

1.91e+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：

3.63 Days

1,3-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

Intermediates

Production

(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, 1,3-bis(1-methylethyl)-: ACTIVE

Computed Properties

Molecular Weight:162.27
XLogP3:4.8
Rotatable Bond Count:2
Exact Mass:162.140850574
Monoisotopic Mass:162.140850574
Heavy Atom Count:12
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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