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

Click to get detail 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

Click to get detail 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
2-Azido-1-(4-bromo-2-fluorophenyl)ethan-1-ol
(4-Bromo-3-fluoro-2-methoxyphenyl)methanol
3-Bromo-4-fluoro-2-methoxybenzyl alcohol
N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)-3-(trifluoromethoxy)benzamide
2-(2,2-Dimethylcyclopropyl)propan-1-amine
(S)-2-Chloro-7-methyl-7,8-dihydropteridin-6(5H)-one
1-[3-[(Methylthio)methyl]phenyl]-1H-imidazole
1,3,5-trimethyl-N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)-1H-pyrazole-4-carboxamide
3-phenyl-N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)propanamide
N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)furan-2-carboxamide

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