2094-99-7

Name 3-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYL ISOCYANATE
CAS 2094-99-7
EINECS(EC#) 402-440-2
Molecular Formula C13H15NO
MDL Number MFCD00080490
Molecular Weight 201.26
MOL File 2094-99-7.mol
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Chemical Properties

Boiling point  268-271 °C(lit.)
density  1.018 g/mL at 25 °C(lit.)
refractive index  n20/D 1.53(lit.)
Fp  >230 °F
form  clear liquid
color  Colorless to Almost colorless
InChI 1S/C13H15NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3
InChIKey ZVEMLYIXBCTVOF-UHFFFAOYSA-N
SMILES CC(=C)c1cccc(c1)C(C)(C)N=C=O
CAS DataBase Reference 2094-99-7(CAS DataBase Reference)
EPA Substance Registry System m-Isopropenyl cumyl isocyanate (2094-99-7)

Safety Data

Symbol(GHS)  Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS05,GHS06,GHS08,GHS09
Signal word  Danger
Hazard statements  H314-H317-H330-H334-H373-H410
Precautionary statements  P273-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310
Hazard Codes  T+,N
Risk Statements 
R26:Very Toxic by inhalation.
R34:Causes burns.
R42/43:May cause sensitization by inhalation and skin contact .
R48/20:Harmful: danger of serious damage to health by prolonged exposure through inhalation .
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S7:Keep container tightly closed .
S15:Keep away from heat .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 2206 6.1/PG 3
WGK Germany  2
RTECS  DA3685000
Autoignition Temperature 838 °F
TSCA  TSCA listed
HS Code  2929.10.8090
REACH Registrations Active
HazardClass  6.1(a)
PackingGroup  II
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Inhalation
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Resp. Sens. 1
Skin Corr. 1B
Skin Sens. 1
STOT RE 2 Inhalation

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