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Substance Name: 3-Cyclohexene-1-methanol, alpha-hydroxymethyl-
RN: 64011-53-6
InChIKey: NPZGQIIAVOOHNM-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H14-O2

Molecular Weight

  • 142.197
 
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Names and Synonyms

Synonyms

  • 4,4-Bis(hydroxymethyl)-1-cyclohexene
  • 4,4-Dihydroxymethyl-1-cyclohexene

Systematic Names

  • 1,2-Ethanediol, 1-(3-cyclohexen-1-yl)-
  • 3-Cyclohexene-1-methanol, alpha-hydroxymethyl-

Registry Numbers

CAS Registry Number

  • 64011-53-6

System Generated Number

  • 0064011536

Structure Descriptors

InChI

1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h1-2,7-10H,3-6H2

InChIKey

NPZGQIIAVOOHNM-UHFFFAOYSA-N

Smiles

C1=CCC[C@@H](C1)[C@@H](O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 1070mg/kg (1070mg/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.