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Substance Name: Vernaldehyde
RN: 66327-54-6
InChIKey: MVTYXAVPKZRAMW-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C14-H24-O

Molecular Weight

  • 208.343
 
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Names and Synonyms

Results Name

  • Vernaldehyde

Synonyms

  • 1-Formyl-1-methyl-4-(4-methylpentyl)-3-cyclohexene
  • 1-Methyl-4-(4-methylpentyl)-3-cyclohexene-1-carboxaldehyde
  • EINECS 266-314-7
  • Vernaldehyde

Systematic Names

  • 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
  • 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methylpentyl)-

Registry Numbers

CAS Registry Number

  • 66327-54-6

System Generated Number

  • 0066327546

Structure Descriptors

InChI

1S/C14H24O/c1-12(2)5-4-6-13-7-9-14(3,11-15)10-8-13/h7,11-12H,4-6,8-10H2,1-3H3

InChIKey

MVTYXAVPKZRAMW-UHFFFAOYSA-N

Smiles

O=C[C@@]1(CCC(=CC1)CCCC(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 37S, 1992.
rat LDLo oral 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 37S, 1992.