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99-62-7

Basic Information
CAS No.: 99-62-7
Name: 1,3-DIISOPROPYLBENZENE
Article Data: 78
Molecular Structure:
Molecular Structure of 99-62-7 (1,3-DIISOPROPYLBENZENE)
Formula: C12H18
Molecular Weight: 162.275
Synonyms: Benzene,m-diisopropyl- (8CI); 1,3-Bis(1-methylethyl)benzene; 1,3-Diisopropylbenzene;m-Di-iso-propylbenzene; m-Diisopropylbenzene; m-Diisopropylbenzene
Density: 0.855g/cm3
Melting Point: −63 °C(lit.)
Boiling Point: 203 °C(lit.)
Flash Point: 76.7°C
Solubility: Soluble in water 4.33 mg/L at 25°C.
Appearance: CLEAR COLOURLESS LIQUID
Risk Codes: 33
Safety: Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes.
PSA: 0.00000
LogP: 3.93340
Synthetic route
3748-13-8

1,3-bis(1-methylethenyl)-benzene

99-62-7

1,3-diisopropylbenzene

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In dichloromethane under 3750.38 Torr; for 19h;88%
24544-04-5

2,6-diisopropylbenzenamine

99-62-7

1,3-diisopropylbenzene

Conditions
ConditionsYield
With n-Butyl nitrite at 60℃; for 5h;82%
Multi-step reaction with 2 steps
1.1: hydrogenchloride; sodium nitrite / water; ethanol / 1 h / 0 °C / Inert atmosphere
1.2: 0.83 h / Inert atmosphere; Reflux
2.1: C52H49PRu; potassium phosphate monohydrate; bis(dibenzylideneacetone)-palladium(0); Ethyl 4-bromobenzoate / 1,4-dioxane / 4 h / 100 °C / Inert atmosphere
View Scheme
60090-48-4

2,6-di(isopropyl)-N-methyleneaniline

A

99-62-7

1,3-diisopropylbenzene

B

24544-04-5

2,6-diisopropylbenzenamine

Conditions
ConditionsYield
With n-Butyl nitrite at 40℃; for 20h;A 70%
B n/a
138008-97-6

2-isopropoxyphenylboronic acid

2-chloro-1,3-bis(1-methylethyl)benzene

A

99-62-7

1,3-diisopropylbenzene

B

1235963-96-8

2,2′-diisopropoxybiphenyl

C

1482498-24-7

2,6-diisopropyl-2'-isopropoxybiphenyl

Conditions
ConditionsYield
With potassium phosphate monohydrate; Ethyl 4-bromobenzoate; C52H49PRu; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 4h; Suzuki-Miyaura Coupling; Inert atmosphere;A 5%
B 13%
C 69%
16419-60-6

2-Methylphenylboronic acid

2-chloro-1,3-bis(1-methylethyl)benzene

A

99-62-7

1,3-diisopropylbenzene

B

605-39-0

2,2'-dimethyl-1,1'-biphenyl

C

1482498-18-9

2,6-diisopropyl-2'-methylbiphenyl

Conditions
ConditionsYield
With potassium phosphate monohydrate; Ethyl 4-bromobenzoate; C52H49PRu; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 4h; Suzuki-Miyaura Coupling; Inert atmosphere;A 14%
B 27%
C 64%
544-16-1

n-Butyl nitrite

24544-04-5

2,6-diisopropylbenzenamine

A

99-62-7

1,3-diisopropylbenzene

B

32604-41-4

2-Butoxy-1,3-diisopropylbenzene

C

2-chloro-1,3-bis(1-methylethyl)benzene

Conditions
ConditionsYield
With tetrachloromethane for 5h;A n/a
B 10%
C 58%
24544-04-5

2,6-diisopropylbenzenamine

A

99-62-7

1,3-diisopropylbenzene

B

32604-41-4

2-Butoxy-1,3-diisopropylbenzene

C

2-chloro-1,3-bis(1-methylethyl)benzene

Conditions
ConditionsYield
With tetrachloromethane; n-Butyl nitrite for 5h;A n/a
B 10%
C 58%

Ge2{C6H3(CH(CH3)2)2}3Li*2(CH3OC2H4OCH3)

A

125346-79-4

1-methoxy-1,2,2-tris(diisopropylphenyl)germane

B

99-62-7

1,3-diisopropylbenzene

Conditions
ConditionsYield
With methanol In 1,2-dimethoxyethane under protective gas, MeOH is vac.-transfered at -78°C to suspn. of Ge compd. in DME, warming to 20°C; evapn., crystn. (hexane) yields Ge compd.;A 54%
B n/a
24544-04-5

2,6-diisopropylbenzenamine

544-92-3

copper(I) cyanide

A

99-62-7

1,3-diisopropylbenzene

B

91563-76-7

1,3-diisopropyl-2-nitrobenzene

C

154079-07-9

2,6-diisopropylphenyl isocyanide

D

1,3-Diisopropyl-2-nitrosooxy-benzene

Conditions
ConditionsYield
With tert.-butylnitrite In dimethyl sulfoxide at 60℃; for 1.5h;A 13%
B 9%
C 52%
D n/a
24544-04-5

2,6-diisopropylbenzenamine

A

99-62-7

1,3-diisopropylbenzene

B

91563-76-7

1,3-diisopropyl-2-nitrobenzene

C

154079-07-9

2,6-diisopropylphenyl isocyanide

D

1,3-Diisopropyl-2-nitrosooxy-benzene

Conditions
ConditionsYield
With tert.-butylnitrite In dimethyl sulfoxide at 60℃; for 1.5h;A 13%
B 9%
C 52%
D n/a
With tert.-butylnitrite In dimethyl sulfoxide at 60℃; for 1.5h; Title compound not separated from byproducts;A 13%
B 9%
C 52%
D n/a
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Chemistry

IUPAC Name: 1,3-Di(propan-2-yl)benzene
The molecular formula of 1,3-Diisopropylbenzene (CAS NO.99-62-7) is C12H18.

                                      
The molecular weight of 1,3-Diisopropylbenzene (CAS NO.99-62-7) is 162.27.
Synonyms of 1,3-Diisopropylbenzene (CAS NO.99-62-7): Benzene, 1,3-bis(1-methylethyl)- ; 1,3-Bis(1-methylethyl)benzene ; 3-Isopropylcumene ; Benzene, 1,3-diisopropyl-
Apperance: clear colourless liquid
Index of Refraction: 1.488 
EINECS: 202-773-1
Density: 0.855 g/ml 
Flash Point: 76.7 °C 
Boiling Point: 203.2 °C
Melting Point: -63 °C
BRN: 1905828

Uses

 1,3-Diisopropylbenzene (CAS NO.99-62-7) is used as chemical reagent, organic intermediates, fine chemicals, pharmaceutical research and development .

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1650mg/kg (1650mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 54, 1982.
mouse LD50 oral 3100mg/kg (3100mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 54, 1982.
mouse LD50 unreported 3100mg/kg (3100mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: TREMOR
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(9), Pg. 18, 1971.
rat LD50 oral 7400mg/kg (7400mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 54, 1982.
rat LD50 unreported 8630mg/kg (8630mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(9), Pg. 18, 1971.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes.Safety information of 1,3-Diisopropylbenzene (CAS NO.99-62-7):
Risk Statements  33 
R33:Danger of cumulative effects.
RIDADR  UN 3082 9/PG 3
WGK Germany  2
RTECS  CZ6334000
HazardClass  9
PackingGroup  III