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Substance Name: Hydroxyisohexyl 3-cyclohexene carboxaldehyde
RN: 31906-04-4
UNII: QUE43B9Z2Q
InChIKey: ORMHZBNNECIKOH-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H22-O2

Molecular Weight

  • 210.3148
 
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Names and Synonyms

Name of Substance

  • Hydroxyisohexyl 3-cyclohexene carboxaldehyde

Synonyms

  • 4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde
  • BRN 2046455
  • EINECS 250-863-4
  • Liral
  • Lyral
  • UNII-QUE43B9Z2Q

Systematic Names

  • 3-Cyclohexene-1-carboxaldehyde, 4-(4-hydroxy-4-methylpentyl)-
  • 4-(4-Hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde

Superlist Name

  • 3-Cyclohexene-1-carboxaldehyde, 4-(4-hydroxy-4-methylpentyl)-

Registry Numbers

CAS Registry Number

  • 31906-04-4

FDA UNII

  • QUE43B9Z2Q

Other Registry Numbers

  • 1384450-22-9
  • 56493-02-8
  • 80449-98-5

System Generated Number

  • 0031906044

Structure Descriptors

InChI

1S/C13H22O2/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,10,12,15H,3-4,6-9H2,1-2H3

InChIKey

ORMHZBNNECIKOH-UHFFFAOYSA-N

Smiles

CC(C)(CCCC1=CCC(CC1)C=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 11300uL/kg (11.3mL/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
National Technical Information Service. Vol. OTS0535072,
rat LD50 oral 3250uL/kg (3.25mL/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: TREMOR
National Technical Information Service. Vol. OTS0535072,