Isophorone diisocyanate CAS#4098-71-9

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.)

Fp 

>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

TLV-TWA 0.0454 mg/m3 (0.005 ppm) (ACGIH and NIOSH); ceiling 0.181 mg/m3 (0.02 ppm)/10 min (NIOSH). .

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

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 6.1/PG 3

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