Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isocaproaldehyde
RN: 1119-16-0
UNII: T0AO9E93RH
InChIKey: JGEGJYXHCFUMJF-UHFFFAOYSA-N

Note

  • Produced from side-chain cleavage of 20,22-dihydroxycholesterol.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H12-O

Molecular Weight

  • 100.1598
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Isocaproaldehyde

Synonyms

  • 3-01-00-02836 (Beilstein Handbook Reference)
  • 4-Methyl valeraldehyde
  • 4-Methylpentanal
  • AI3-30050
  • BRN 0506059
  • EINECS 214-273-0
  • Isocaproaldehyde
  • Isohexanal
  • UNII-T0AO9E93RH

Systematic Names

  • 4-Methylvaleraldehyde
  • Pentanal, 4-methyl-
  • Valeraldehyde, 4-methyl-

Registry Numbers

CAS Registry Number

  • 1119-16-0

FDA UNII

  • T0AO9E93RH

System Generated Number

  • 0001119160

Structure Descriptors

InChI

1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3

InChIKey

JGEGJYXHCFUMJF-UHFFFAOYSA-N

Smiles

CC(C)CCC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 4460uL/kg (4.46mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 16000ppm/4H (16000ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 5660uL/kg (5.66mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.