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Substance Name: 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
RN: 37677-14-8
InChIKey: MQBIZQLCHSZBOI-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formulas

  • C12-H20-O
  • C13-H20-O

Molecular Weight

  • 192.3
 
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Names and Synonyms

Synonyms

  • 1-Formyl-4-isohexenyl-4-cyclohexene
  • 1-Formyl-4-ixohexenyl-4-cyclohexene
  • 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-pentenyl)-
  • 4-(4-Methyl-3-penten-1-yl)-3-cyclohexen-1-carboxaldehyde
  • 4-(4-Methyl-3-penten-1-yl)-3-cyclohexene-1-carboxaldehyde
  • 4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde
  • 4-(4-Methylpent-3-enyl)cyclohex-3-ene-1-carboxaldehyde
  • EINECS 253-617-4
  • Isohexenyl cyclohexenyl carboxaldehyde
  • Myrac aldehyde
  • para-Myrac aldehyde

Systematic Names

  • 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
  • 3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-pentenyl)-
  • 3-Cyclohexene-1-carboxaldehyde, 4-(5-methyl-3-penten-1-yl)-
  • 4-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde

Registry Numbers

CAS Registry Number

  • 37677-14-8

Other Registry Numbers

  • 128352-68-1
  • 80450-04-0
  • 939768-33-9

System Generated Number

  • 0037677148

Structure Descriptors

InChI

1S/C13H20O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h4,6,10,13H,3,5,7-9H2,1-2H3

InChIKey

MQBIZQLCHSZBOI-UHFFFAOYSA-N

Smiles

C(\C=C(\C)C)CC=1CC[C@@H](C=O)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 8mL/kg (8mL/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
National Technical Information Service. Vol. OTS0535072,
rat LD50 oral 7500uL/kg (7.5mL/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
National Technical Information Service. Vol. OTS0535072,