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Substance Name: 3-Methyl-3-octanol
RN: 5340-36-3
UNII: 519R9981PM
InChIKey: JEWXYDDSLPIBBO-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H20-O

Molecular Weight

  • 144.256
 
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Names and Synonyms

Name of Substance

  • 3-Methyl-3-octanol

Synonyms

  • 2-Ethyl-2-heptanol
  • 3-Methyloctan-3-ol
  • 4-01-00-01807 (Beilstein Handbook Reference)
  • AI3-24904
  • Amylethylmethylcarbinol
  • Aprol 161
  • BRN 1733747
  • EINECS 226-276-4
  • NSC 903
  • UNII-519R9981PM

Systematic Names

  • 3-Methyloctan-3-ol
  • 3-Octanol, 3-methyl-

Superlist Name

  • 3-Methyl-3-octanol

Registry Numbers

CAS Registry Number

  • 5340-36-3

FDA UNII

  • 519R9981PM

Other Registry Number

  • 138051-58-8

System Generated Number

  • 0005340363

Structure Descriptors

InChI

1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3

InChIKey

JEWXYDDSLPIBBO-UHFFFAOYSA-N

Smiles

C([C@@](CC)(C)O)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 759, 1982.
rat LD50 oral 3400mg/kg (3400mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 759, 1982.