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Substance Name: Isocaproaldehyde
RN: 1119-16-0
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
 
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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

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 1119-16-0

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.