1-(2-isocyanatopropan-2-yl)-4-prop-1-en-2-ylbenzene

Names

[ CAS No. ]:
2889-58-9

[ Name ]:
1-(2-isocyanatopropan-2-yl)-4-prop-1-en-2-ylbenzene

Chemical & Physical Properties

[ Density]:
0.92g/cm3

[ Boiling Point ]:
275.6ºC at 760mmHg

[ Molecular Formula ]:
C13H15NO

[ Molecular Weight ]:
201.26400

[ Flash Point ]:
84ºC

[ Exact Mass ]:
201.11500

[ PSA ]:
29.43000

[ LogP ]:
3.29060

[ Vapour Pressure ]:
0.00504mmHg at 25°C

[ Index of Refraction ]:
1.497

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NQ9240000
CHEMICAL NAME :
Isocyanic acid, p-isopropenyl-alpha,alpha-dimethylbenzyl ester
CAS REGISTRY NUMBER :
2889-58-9
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C13-H15-N-O

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 :
4400 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes Gastrointestinal - hypermotility, diarrhea Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,159,1992
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,159,1992

Safety Information

[ RIDADR ]:
UN 2206

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1(a)

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • ISOCYANIC ACID
  • p-diisopropenylbenzene

DownStream

Related Compounds

  • 4-(3-Butoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 4-(4-Ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 4-(4-Tert-butylphenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 3-(2-Hydroxyphenyl)-4-(3-hydroxyphenyl)-5-(2-methoxyethyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 4-(4-Ethoxy-3-methoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 4-(3-Bromophenyl)-3-(2-hydroxyphenyl)-5-(2-methoxyethyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 4-(3-Ethoxy-4-propoxyphenyl)-5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 4-(4-Bromophenyl)-3-(2-hydroxyphenyl)-5-(oxolan-2-ylmethyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 3-(2-Hydroxyphenyl)-5-(oxolan-2-ylmethyl)-4-phenyl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
  • 3-(2-Hydroxyphenyl)-5-(2-methoxyethyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
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