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Substance Name: Isocyclocitral
RN: 1335-66-6
InChIKey: AEXLFXYEFLKADK-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H16-O

Molecular Weight

  • 304.4708
 
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Names and Synonyms

Synonyms

  • 1-Formyl-3,5,6-trimethyl-3-cyclohexene and 1-formyl-2,4,6-trimethyl-3-cyclohexene
  • 2,4,6-Trimethyl-3-cyclohexen-1-carboxaldehyde
  • EINECS 215-638-7
  • Isocyclocitral

Systematic Names

  • 3-Cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl-, and 3,5,6-trimethyl-3-cyclohexene-1-carboxaldehyde
  • Isocyclocitral

Superlist Name

  • Isocyclocitral

Registry Numbers

CAS Registry Number

  • 1335-66-6

System Generated Number

  • 0001335666

Structure Descriptors

InChI

1S/2C10H16O/c1-7-4-8(2)9(3)10(5-7)6-11;1-7-4-8(2)10(6-11)9(3)5-7/h2*4,6,8-10H,5H2,1-3H3

InChIKey

AEXLFXYEFLKADK-UHFFFAOYSA-N

Smiles

CC1CC(=CC(C1C=O)C)C.CC1C=C(CC(C1C)C=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 4500mg/kg (4500mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 313, 1976.