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CAS Number: 503-74-2
Sum Formula: C5H10O2
Molar Mass: 102.1 g/mol
German Synonyms: i-Propylessigsäure | Isovaleriansäure | Isopropylessigsäure | 3-Methylbuttersäure | 3-Methylbutansäure
English Synonyms: Isovaleric acid | Delphinic acid | 3-Methylbutanoic acid
EC Number: 207-975-3
Temperature Class: T2
Explosion Group: IIA (estimated)
Structural Formula 3-Methylbutanoic acid

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 )

Boiling point
1 1991 Physikalisch-Technische Bundesanstalt (PTB) 1013.25 hPa 175 °C ... 177 °C UTI: 4801-2662-33436/0-39
UTI: 4801-2662-33436/0-39;
Line no Boiling temperature Pressure
  • defined value
  • at atmospheric pressure
  • saturated
  • property of pure substance
  • saturated
1 175 °C ... 177 °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 1991 Physikalisch-Technische Bundesanstalt (PTB) 1013.25 hPa 20 °C 0.93 g/cm3 UTI: 4801-2662-33437/0-39
UTI: 4801-2662-33437/0-39;
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 0.93 g/cm3 20 °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
Melting point
1 1991 Physikalisch-Technische Bundesanstalt (PTB) 1013.25 hPa < -30 °C UTI: 4801-2662-33435/0-39
UTI: 4801-2662-33435/0-39;
Line no Melting temperature Pressure
  • defined value
  • at atmospheric pressure
  • property of pure substance
  • recommended value
  • at atmospheric pressure
1 < -30 °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
Relative gas density
1 1991 Physikalisch-Technische Bundesanstalt (PTB) 3.52 UTI: 4801-2662-33438/0-39
UTI: 4801-2662-33438/0-39;
Line no Relative gas density
  • defined value
  • property of pure substance
1 3.52
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
Solubility in water
1 2009 Physikalisch-Technische Bundesanstalt (PTB) 20 °C 25 g/l UTI: 228-2662-33433/0-39
UTI: 228-2662-33433/0-39;
Line no Solubility in water Temperature
  • defined value
  • property of pure substance
  • property of pure substance
1 25 g/l 20 °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 1991 Physikalisch-Technische Bundesanstalt (PTB) 385 °C UTI: 4801-2662-33440/0-39
UTI: 4801-2662-33440/0-39;
Line no Autoignition Temperature
  • recommended value
  • according to german standard
  • property of pure substance
1 385 °C [A]
[A] DIN 51794: Testing of mineral oil hydrocarbons - Determination of ignition temperature; measurements are technically identical to those of ISO/IEC 80079-20-1 but results are treated differently.
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
2 1975 Yagyu, S. 425 °C UTI: 179-2662-33429/0-39
UTI: 179-2662-33429/0-39;
Line no Autoignition Temperature
  • experimental
  • international standard method
  • property of pure substance
1 425 °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
Title Data for Ignition Temperature(1st and 2nd)
Author Yagyu, S.
Year 1975
Publisher RIIS
Language JAPN
Flash point
1 1991 Physikalisch-Technische Bundesanstalt (PTB) 78 °C UTI: 4801-2662-33439/0-39
UTI: 4801-2662-33439/0-39;
Line no Flash point
  • recommended value
  • experimental
  • closed cup
  • property of pure substance
1 78 °C
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
Explosion limits
Lower explosion limit
1 1991 Physikalisch-Technische Bundesanstalt (PTB) 1.4 Vol% ± 10 % UTI: 4801-2662-33443/0-39
UTI: 4801-2662-33443/0-39;
Line no Lower explosion limit
  • recommended value
  • experimental
  • property of pure substance
1 1.4 Vol% ± 10 %
2 60 g/m3 ± 10 % ⚠
⚠ The reference for the specification in g/m3 is the molar volume at 20 °C
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
2 Lower Explosion Limit as a function of temperature 1991 Physikalisch-Technische Bundesanstalt (PTB) 100 °C ... 180 °C 51 g/m3 ... 59 g/m3 ± 10 % UTI: 4801-2662-33442/0-39
Lower Explosion Limit as a function of temperature
UTI: 4801-2662-33442/0-39;
Line no Temperature Lower explosion limit
  • experimental
  • property of pure substance
  • recommended value
  • experimental
  • at atmospheric pressure
  • property of pure substance
1 100 °C 59 g/m3 ± 10 % ⚠
2 150 °C 53 g/m3 ± 10 % ⚠
3 180 °C 51 g/m3 ± 10 % ⚠
⚠ The reference for the specification in g/m3 is the molar volume at 20 °C
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
Upper explosion limit
1 1991 Physikalisch-Technische Bundesanstalt (PTB) 7.3 Vol% ± 5 % UTI: 4801-2662-33441/0-39
UTI: 4801-2662-33441/0-39;
Line no Upper explosion limit
  • recommended value
  • estimated
  • property of pure substance
1 7.3 Vol% ± 5 %
2 310 g/m3 ± 5 % ⚠
⚠ The reference for the specification in g/m3 is the molar volume at 20 °C
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
Stoichiometric fraction of combustible substance in mixture with air
1 2005 Physikalisch-Technische Bundesanstalt (PTB) 3.1 Mol% UTI: 220-2662-33432/0-39
UTI: 220-2662-33432/0-39;
Line no Stoichiometric fraction of combustible substance in mixture with air
  • recommended value
  • property of pure substance
1 3.1 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

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