M-tetramethylxylene isocyanate

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Names

[ CAS No. ]:
2094-99-7

[ Name ]:
M-tetramethylxylene isocyanate

[Synonym ]:
3-Isopropenylcumyl Isocyanate
Isocyanic Acid 3-Isopropenylcumyl Ester
Isocyanic Acid 3-Isopropenyl-α,α-dimethylbenzyl Ester
1-methyl-1-[3-(1-methylethenyl)phenyl]ethyl isocyanate
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzene
EINECS 402-440-2
MFCD00080490
3-Isopropenyl-α,α-dimethylbenzyl Isocyanate

Chemical & Physical Properties

[ Density]:
1.018 g/mL at 25 °C(lit.)

[ Boiling Point ]:
268-271 °C(lit.)

[ Molecular Formula ]:
C13H15NO

[ Molecular Weight ]:
201.26400

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
201.11500

[ PSA ]:
29.43000

[ LogP ]:
3.29060

[ Vapour Pressure ]:
0.00723mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.53(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA3685000
CHEMICAL NAME :
Benzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-
CAS REGISTRY NUMBER :
2094-99-7
LAST UPDATED :
199712
DATA ITEMS CITED :
6
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 :
3100 ug/kg
TOXIC EFFECTS :
Gastrointestinal - gastritis Gastrointestinal - other changes
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0546191
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 :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0546191
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
750 mg/m3/1H
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - chronic pulmonary edema Gastrointestinal - changes in structure or function of salivary glands
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: 1,43,1990

Safety Information

[ Symbol ]:

GHS05, GHS06, GHS08, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314-H317-H330-H334-H373-H410

[ Precautionary Statements ]:
P260-P280-P284-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P342 + P311-P403 + P233

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
T+: Very toxic;N: Dangerous for the environment;

[ Risk Phrases ]:
R26

[ Safety Phrases ]:
S7-S15-S28-S36/37/39-S38-S45-S60-S61

[ RIDADR ]:
UN 2206 6.1/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
DA3685000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1(a)

[ HS Code ]:
2929109000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • ISOCYANIC ACID
  • 1,3-diisopropenylbenzene

DownStream

  • 1-[3-(2-hydroxypropan-2-yl)phenyl]ethanone
  • 2-(3-prop-1-en-2-ylphenyl)ethylcarbamic acid
  • 1,3-bis[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

Customs

[ HS Code ]: 2929109000

[ Summary ]:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Oligomers with pendant isocyanate groups as tissue adhesives. I. Synthesis and characterization.

J. Biomed. Mater. Res. 23(3) , 295-309, (1989)

A series of methacrylate oligomers containing pendant isocyanate groups were synthesized by reacting 2-isocyanatoethyl methacrylate (IEM) and/or m-isopropenyl-alpha, alpha-dimethylbenzyl isocyanate (T...


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Related Compounds

  • 1,3-bis(2-isocyanatopropan-2-yl)benzene,2-ethyl-2-(hydroxymethyl)propane-1,3-diol
  • m-Isocyanatotoluene
  • m-bromo-α,α-dimethylbenzyl isocyanate
  • m-(1,1,2,2-tetrafluoroethoxy)phenyl isocyanate
  • m-Methylthioanisole
  • m,p-ethylphenethyltrimethoxysilane
  • N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-methyl-1H-indole-3-carboxamide
  • N-cyclopentyl-1-(1H-indazol-3-yl)-5-oxo-3-pyrrolidinecarboxamide
  • 5-(3-fluorophenyl)-N-[2-(1H-imidazol-4-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
  • N-[4-(1H-pyrrol-1-yl)phenyl]-1H-indole-6-carboxamide
  • N-[1-(propan-2-yl)-1H-indol-4-yl]-2-[4-(1H-tetrazol-1-yl)phenyl]acetamide
  • 3-[6-(benzyloxy)-1H-indol-1-yl]-N-(1H-imidazol-2-yl)propanamide
  • 2-(4-Methoxybenzyl)-7-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
  • Methyl 5-methyl-2-({[3-methyl-6-(propan-2-yl)[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}amino)-1,3-thiazole-4-carboxylate
  • 2-[(4-methoxybenzyl)amino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
  • 1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]propan-1-one
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