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CAS Number: 4098-71-9
Sum Formula: C12H18N2O2
Molar Mass: 222.3 g/mol
German Synonyms: 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexan | Isophorondiisocyanat (Isomerengemisch cis/trans)
English Synonyms: Isophorone diisocyanate (isomeric mixture cis/trans) | IPDI | 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
EC Index Number: 615-008-00-5
EC Number: 223-861-6
Temperature Class: T2
Explosion Group: IIA (estimated)
Structural Formula 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane

Disclaimer: The CLP/GHS classification is not regularly updated in Chemsafe. For up-to-date information, please use the ECHA database. ( https://echa.europa.eu/en/information-on-chemicals )

GHS Hazard and Category:
  • Acute Tox. 3: acute toxicity by inhalation, category 3
  • Eye Irrit. 2: eye irritation, category 2
  • STOT SE 3: Specific target organ toxicity following single exposure, category 3, respiratory tract irritation or narcotic effects
  • Skin Irrit. 2: skin irritation, category 2
  • Resp. Sens. 1: respiratory sensitizer, category 1
  • Skin Sens. 1: skin sensitization, category 1
  • Aquatic Chronic 2: long-term hazards hazards to the aquatic environment, category 2
GHS Pictogram:
pictogram toxic
pictogram health hazard
pictogram environmental hazard





GHS Signal Word: Danger
GHS Hazard Statement:
  • H331: Toxic if inhaled.
  • H319: Causes serious eye irritation.
  • H335: May cause respiratory irritation.
  • H315: Causes skin irritation.
  • H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled.
  • H317: May cause an allergic skin reaction.
  • H411: Toxic to aquatic life with long lasting effects.

Boiling point
1 1963 Nabert, K.; Schön, G. 13.3 mbar 153 °C UTI: 1000-1511-22997/0-39
UTI: 1000-1511-22997/0-39;
Line no Pressure Boiling temperature
  • defined value
  • property of pure substance
1 13.3 mbar 153 °C
Bibliographic data
Author Nabert, K.; Schön, G.
Year 1963
Title Sicherheitstechnische Kennzahlen brennbarer Gase und Dämpfe (mit 6. Nachtrag)
Publisher Deutscher Eichverlag
Publisher City Braunschweig
Abstract English Safety values of about 1000 flammable gases and vapors: Explosion limits, ignition temperatures, flash points, explosion pressures.
Language GERM
2 1991 Physikalisch-Technische Bundesanstalt (PTB) 1013.25 hPa 303.7 °C UTI: 4801-1511-23002/0-39
UTI: 4801-1511-23002/0-39;
Line no Boiling temperature Pressure
  • defined value
  • at atmospheric pressure
  • saturated
  • property of pure substance
  • saturated
1 303.7 °C 1013.25 hPa
Bibliographic data
Author Physikalisch-Technische Bundesanstalt (PTB)
Year 1991
Title Empfohlene Sicherheitstechnische Kenngrößen
Database PTB
Publisher Datenbank PTB-AG 3.41/3.71
Language GERM
Density
1 1963 Nabert, K.; Schön, G. 1013.25 hPa 20 °C 1.06 g/cm3 UTI: 1000-1511-22998/0-39
UTI: 1000-1511-22998/0-39;
Line no Density Temperature Pressure
  • defined value
  • at atmospheric pressure and room temperature
  • property of pure substance
  • recommended value
  • at atmospheric pressure and room temperature
  • property of pure substance
  • recommended value
  • at atmospheric pressure and room temperature
1 1.06 g/cm3 20 °C 1013.25 hPa
Bibliographic data
Author Nabert, K.; Schön, G.
Year 1963
Title Sicherheitstechnische Kennzahlen brennbarer Gase und Dämpfe (mit 6. Nachtrag)
Publisher Deutscher Eichverlag
Publisher City Braunschweig
Abstract English Safety values of about 1000 flammable gases and vapors: Explosion limits, ignition temperatures, flash points, explosion pressures.
Language GERM
Melting point
1 1963 Nabert, K.; Schön, G. -60 °C UTI: 1000-1511-22996/0-39
UTI: 1000-1511-22996/0-39;
Line no Melting temperature
  • defined value
  • at atmospheric pressure
  • property of pure substance
1 -60 °C
Bibliographic data
Author Nabert, K.; Schön, G.
Year 1963
Title Sicherheitstechnische Kennzahlen brennbarer Gase und Dämpfe (mit 6. Nachtrag)
Publisher Deutscher Eichverlag
Publisher City Braunschweig
Abstract English Safety values of about 1000 flammable gases and vapors: Explosion limits, ignition temperatures, flash points, explosion pressures.
Language GERM
Relative gas density
1 1963 Nabert, K.; Schön, G. 7.67 UTI: 1000-1511-22999/0-39
UTI: 1000-1511-22999/0-39;
Line no Relative gas density
  • defined value
  • property of pure substance
1 7.67
Bibliographic data
Author Nabert, K.; Schön, G.
Year 1963
Title Sicherheitstechnische Kennzahlen brennbarer Gase und Dämpfe (mit 6. Nachtrag)
Publisher Deutscher Eichverlag
Publisher City Braunschweig
Abstract English Safety values of about 1000 flammable gases and vapors: Explosion limits, ignition temperatures, flash points, explosion pressures.
Language GERM
Solubility in water
1 2009 Physikalisch-Technische Bundesanstalt (PTB) 25 °C < 1 g/l UTI: 228-1511-22994/0-39
UTI: 228-1511-22994/0-39;
Line no Solubility in water Temperature
  • defined value
  • property of pure substance
  • property of pure substance
1 < 1 g/l 25 °C
Bibliographic data
Author Physikalisch-Technische Bundesanstalt (PTB)
Year 2009
Title Wasserlöslichkeit
Database PTB
Publisher Datenbank PTB-Lab. 3.43
Language GERM
  • The oxidizing agent is air with an oxygen content of 20.95 % by volume. In the data base it is usually not specified as mixture component. Exceptions are highlighted.
  • Pressure values are absolute, not gauge pressures.
  • Impurities can strongly influence characteristic safety data, particulary if the properties of the impurity considerably deviate from the respective properties of the pure substance.
  • Safety characteristics are only displayed if evaluated data are available.
  • Values can be cited by using the UTI number of the table (Uniform Table Identifier).
  • Color Codes:         recommended value             no recommendation               do not use value

Autoignition Temperature
1 1963 Nabert, K.; Schön, G. 430 °C UTI: 1000-1511-23001/0-39
UTI: 1000-1511-23001/0-39;
Line no Autoignition Temperature
  • recommended value
  • international standard method
  • property of pure substance
1 430 °C [A]
[A] IEC 79-4: Method of Test for Ignition Temperature, Electrical Apparatus for Explosive G; Replaced by IEC-60079-20-1 in 1975
Bibliographic data
Author Nabert, K.; Schön, G.
Year 1963
Title Sicherheitstechnische Kennzahlen brennbarer Gase und Dämpfe (mit 6. Nachtrag)
Publisher Deutscher Eichverlag
Publisher City Braunschweig
Abstract English Safety values of about 1000 flammable gases and vapors: Explosion limits, ignition temperatures, flash points, explosion pressures.
Language GERM
Flash point
1 1963 Nabert, K.; Schön, G. 155 °C UTI: 1000-1511-23000/0-39
UTI: 1000-1511-23000/0-39;
Line no Flash point
  • recommended value
  • closed cup
  • property of pure substance
1 155 °C
Bibliographic data
Author Nabert, K.; Schön, G.
Year 1963
Title Sicherheitstechnische Kennzahlen brennbarer Gase und Dämpfe (mit 6. Nachtrag)
Publisher Deutscher Eichverlag
Publisher City Braunschweig
Abstract English Safety values of about 1000 flammable gases and vapors: Explosion limits, ignition temperatures, flash points, explosion pressures.
Language GERM
Stoichiometric fraction of combustible substance in mixture with air
1 2005 Physikalisch-Technische Bundesanstalt (PTB) 1.3 Mol% UTI: 220-1511-22993/0-39
UTI: 220-1511-22993/0-39;
Line no Stoichiometric fraction of combustible substance in mixture with air
  • recommended value
  • property of pure substance
1 1.3 Mol%
Bibliographic data
Author Physikalisch-Technische Bundesanstalt (PTB)
Year 2005
Title Berechnete molare stöchiometrische Brenngasanteile in Luft (c_stoech)
Database PTB
Publisher Datenbank PTB-Lab. 3.43
Language GERM

No entry in database