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Isophorone diisocyanate  Structure

Isophorone diisocyanate

Chemical Properties

Melting point -60°C
Boiling point 158-159 °C15 mm Hg(lit.)
Density  1.049 g/mL at 25 °C(lit.)
vapor pressure  0.0004 hPa (20 °C)
refractive index  n20/D 1.484(lit.)
Flash point >230 °F
storage temp.  Store below +30°C.
solubility  Miscible with esters, ketones, ethers, and aromatic and aliphatic hydrocarbons.
form  Liquid
color  Clear colorless to slightly yellow
explosive limit 0.7-4.5%(V)
Water Solubility  <0.1 g/100 mL at 25 ºC
Sensitive  Moisture Sensitive
BRN  2726467
Exposure limits PC-TWA:0.05 mg/m3; PC-STEL:0.1 mg/m3
Stability Reacts with all substances containing active hydrogen, such as acids, amines, water, phenols, mercaptans, amides, urea. Probably moisture sensitive.
Cosmetics Ingredients Functions FILM FORMING
InChI 1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3
InChIKey NIMLQBUJDJZYEJ-UHFFFAOYSA-N
SMILES N(=C=O)C1CC(CC(C1)(C)C)(CN=C=O)C
LogP 4.75 at 25℃
CAS DataBase Reference 4098-71-9(CAS DataBase Reference)
EPA Substance Registry System Isophorone diisocyanate (4098-71-9)

Safety Information

Hazard Codes  T,N
Risk Statements  23-36/37/38-42/43-51/53-22
Safety Statements  26-28-38-45-61
OEB D
OEL TWA: 0.005 ppm (0.045 mg/m3), STEL: 0.02 ppm (0.180 mg/m3) [skin]
RIDADR  UN 2290
WGK Germany  2
RTECS  NQ9370000
Autoignition Temperature 430 °C
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  III
HS Code  29291090
Storage Class 6.1A - Combustible, acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 1 Inhalation
Aquatic Chronic 2
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Hazardous Substances Data 4098-71-9(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 4825 mg/kg LD50 dermal Rat > 7000 mg/kg

MSDS

Usage And Synthesis

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