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1,3-Di(propan-2-yl)benzene
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Name

1,3-Di(propan-2-yl)benzene

 EINECS N/A
CAS No. 99-62-7 Density 0.855g/cm3
PSA 0.00000 LogP 3.93340
Solubility Soluble in water 4.33 mg/L at 25°C. Melting Point −63 °C(lit.)
Formula C12H18 Boiling Point 203 °C(lit.)
Molecular Weight 162.275 Flash Point 76.7°C
Transport Information N/A Appearance CLEAR COLOURLESS LIQUID
Safety Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes. Risk Codes 33
Molecular Structure Molecular Structure of 99-62-7 (1,3-DIISOPROPYLBENZENE) Hazard Symbols N/A
Synonyms

Benzene,m-diisopropyl- (8CI); 1,3-Bis(1-methylethyl)benzene; 1,3-Diisopropylbenzene;m-Di-iso-propylbenzene; m-Diisopropylbenzene; m-Diisopropylbenzene

Article Data 78

1,3-Di(propan-2-yl)benzene 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
...Expand
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

1,3-Di(propan-2-yl)benzene Chemical Properties

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

1,3-Di(propan-2-yl)benzene Uses

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

1,3-Di(propan-2-yl)benzene 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.

1,3-Di(propan-2-yl)benzene Consensus Reports

Reported in EPA TSCA Inventory.

1,3-Di(propan-2-yl)benzene 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

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