M-tetramethylxylene isocyanate

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

DownStream

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...