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
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
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
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...