1,3-Diisopropylbenzene

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Names

[ CAS No. ]:
99-62-7

[ Name ]:
1,3-Diisopropylbenzene

[Synonym ]:
1,3-di(propan-2-yl)benzene
MFCD00008889
EINECS 202-773-1

Chemical & Physical Properties

[ Density]:
0.856 g/mL at 25 °C(lit.)

[ Boiling Point ]:
203 °C(lit.)

[ Melting Point ]:
−63 °C(lit.)

[ Molecular Formula ]:
C12H18

[ Molecular Weight ]:
162.27100

[ Flash Point ]:
170 °F

[ Exact Mass ]:
162.14100

[ LogP ]:
3.93340

[ Index of Refraction ]:
n20/D 1.488(lit.)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ6334000
CHEMICAL NAME :
Benzene, m-diisopropyl-
CAS REGISTRY NUMBER :
99-62-7
BEILSTEIN REFERENCE NO. :
1905828
LAST UPDATED :
199710
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C12-H18
MOLECULAR WEIGHT :
162.30

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,54,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8630 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - tremor Behavioral - excitement
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 36(9),18,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,54,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1650 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,54,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3100 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - tremor Behavioral - excitement
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 36(9),18,1971 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
45500 ug/kg/26W-I
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity Behavioral - alteration of classical conditioning Blood - changes in erythrocyte (RBC) count
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 36(9),18,1971
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1 gm/m3/5H/22W-I
TOXIC EFFECTS :
Liver - liver function tests impaired Blood - changes in cell count (unspecified)
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 14(2),41,1970
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/m3/5H/22W-I
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Liver - liver function tests impaired
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 14(2),41,1970
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1 gm/m3/5H/22W-I
TOXIC EFFECTS :
Liver - liver function tests impaired
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 14(2),41,1970 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
DOSE :
200 ug/m3/5H
SEX/DURATION :
female 22 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - menstrual cycle changes or disorders
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 14(12),44,1970

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
33

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
UN 3082 9/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
CZ6334000

[ Packaging Group ]:
III

[ Hazard Class ]:
9

[ HS Code ]:
2902909090

Synthetic Route

Precursor & DownStream

Precursor

  • 1,3-diisopropenylbenzene
  • propene
  • benzene
  • Cumene
  • 2,6-Diisopropylaniline
  • 1,2,4-TRI-ISO-PROPYLBENZENE
  • N-[2,6-di(propan-2-yl)phenyl]methanimine
  • 1,4-Diisopropylbenzene
  • Acetone
  • 1,3,5-Triisopropylbenzene

DownStream

  • 3-(2-hydroxy-2-propyl)-1-(2-hydroperoxy-2-propyl)benzene
  • 3-Isopropyl-α,α-dimethylbenzyl alcohol
  • alpha,alpha,alpha',alpha'-tetramethyl-m-xylene-alpha,alpha'-diol
  • 1-(3-isopropylphenyl)-1-methylethyl hydroperoxide
  • META-DIISOPROPYLBENZENEDIHYDROPEROXIDE
  • 2-methyl-4,6-di(propan-2-yl)-1H-indene
  • dimethyl-bis[2-methyl-4,6-di(propan-2-yl)-1H-inden-1-yl]silane
  • Cumene
  • ether
  • n-propylbenzene

Customs

[ HS Code ]: 2902909090

[ Summary ]:
2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%


Related Compounds

  • 1,3-Diisopropylbenzene-d18
  • 2-Iodo-1,3-diisopropylbenzene
  • 2-Bromo-1,3-diisopropylbenzene
  • 2-Chloro-1,3-diisopropylbenzene
  • 2-Butoxy-1,3-diisopropylbenzene
  • 2-hydroxy-1,3-diisopropylbenzene