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Isovaleraldehyde information


Isovaleraldehyde
Names
Preferred IUPAC name
3-Methylbutanal
Other names
Isovaleral, Isovaleric Aldehyde
Identifiers
CAS Number
  • 590-86-3 checkY
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:16638
ChemSpider
  • 11065
ECHA InfoCard 100.008.811 Edit this at Wikidata
PubChem CID
  • 11552
UNII
  • 69931RWI96 checkY
CompTox Dashboard (EPA)
  • DTXSID1021619 Edit this at Wikidata
InChI
  • InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
    Key: YGHRJJRRZDOVPD-UHFFFAOYSA-N
  • InChI=1/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
    Key: YGHRJJRRZDOVPD-UHFFFAOYAE
SMILES
  • CC(C)CC=O
Properties
Chemical formula
C5H10O
Molar mass 86.13[1]
Appearance Colorless Liquid[1]
Density 0.785 g/mL at 20 °C[1]
Melting point −51 °C (−60 °F; 222 K)[1]
Boiling point 92 °C (198 °F; 365 K)[1]
Solubility in water
Soluble in alcohol and ether, slightly soluble in water[1]
Magnetic susceptibility (χ)
−57.5×10−6 cm3/mol
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
Combustible[1]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Isovaleraldehyde organic compound, also known as 3-methylbutanal, with the formula (CH3)2CHCH2CHO. It is an aldehyde, a colorless liquid at STP,[1] and found in low concentrations in many types of food.[2] Commercially it is used as a reagent for the production of pharmaceuticals, perfumes and pesticides.[3]

  1. ^ a b c d e f g h Lewis, R. J. Sr., ed. (2007). Hawley's Condensed Chemical Dictionary (15th ed.). New York, NY: John Wiley. p. 719.
  2. ^ Cserháti, T.; Forgács, E. (2003). "Flavor (Flavour) Compounds: Structures and Characteristics". Encyclopedia of Food Sciences and Nutrition (2nd ed.). Elsevier Science. pp. 2509–2517.
  3. ^ Kohlpaintner, C. "Aliphatic Aldehydes". Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. p. 9. doi:10.1002/14356007.a01_321.pub3. ISBN 978-3527306732.

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Isovaleraldehyde

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C5H10O

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