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LC3079 Isophorone diisocyanate

(mixture of cis- and trans-isomers) for synthesis


Order number Packaging Quantity Price €
AC30079 Glass bottle 250 ml 21.15
AC30079 Glass bottle 1 L 71.55


Product information
Synonyms 5-Isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane, 3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
Hill Formula C12H18N2O2
HS Code 2929 10 00
EC number 223-861-6
Molar mass 222.29 g/mol
EC index number 615-008-00-5
CAS number 4098-71-9


Chemical and physical data
Ignition temperature 430 °C DIN 51794
Solubility 0.015 g/l (20 °C) (slow decomposition)
Melting point -60 °C
Molar mass 222.29 g/mol
Density 1.06 g/cm3 (20 °C)
Boiling point 158 – 159 °C (13 hPa)
Vapor pressure 0.0004 hPa (20 °C)
Explosion limit 0.7 – 4.5 %(V)
Flash point 155 °C
Refractive index 1.482 (25 °C, 589 nm)


Safety information
R Phrase R 23-36/37/38-42/43-51/53
Toxic by inhalation.Irritating to eyes, respiratory system and skin.May cause sensitization by inhalation and skin contact.Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S Phrase S 26-28-38-45-61
In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.After contact with skin, wash immediately with plenty of water.In case of insufficient ventilation, wear suitable respiratory equipment.In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).Avoid release to the environment. Refer to special instructions/ Safety data sheets.
Categories of danger toxic, irritant, sensitizing, dangerous for the environment
Hazard Symbol Toxic
Dangerous for the environment
Storage class 6.1A Combustible substances, toxic
WGK WGK 2 water endangering
Disposal 11
Organic acid halides, anhydrides and isocyanates can be added dropwise to an excess of methanol (Cat. No. 822283) to convert them into the corresponding methyl esters or methyl carbamates. If necessary, neutralize with sodium hydroxide solution (Cat. No. 105587). Fill into container A.


Transport information
Declaration (transport by sea) IMDG-Code UN 2290 ISOPHORONE DIISOCYANATE, 6.1, III
Declaration (transport by air) IATA-DGR UN 2290 ISOPHORONE DIISOCYANATE, 6.1, III


Toxicological data
LD 50 oral LD50 rat 4825 mg/kg
LD 50 dermal LD50 rat > 7000 mg/kg


Assay (GC, area%) ≥ 99 %
Density (d 20 °C/ 4 °C) 1.060 – 1.062
Identity (IR) passes test


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