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Substance Name: 3,6-Dimethyl-4-octyne-3,6-diol
RN: 78-66-0
UNII: GFO2D7A38Q
InChIKey: NUYADIDKTLPDGG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H18-O2

Molecular Weight

  • 170.2502
 
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Names and Synonyms

Name of Substance

  • 3,6-Dimethyl-4-octyne-3,6-diol

Synonyms

  • 3,6-Dimethyl-4-octyne-3,6-diol
  • 3,6-Dimethyl-octin-4-diol-(3,6)
  • 3,6-Dimethyl-octin-4-diol-(3,6) [German]
  • 4-01-00-02706 (Beilstein Handbook Reference)
  • AI3-07312
  • BRN 1722390
  • EINECS 201-131-8
  • NSC 1025
  • Surfynol 82
  • Surfynol 85
  • UNII-GFO2D7A38Q

Systematic Names

  • 3,6-Dimethyloct-4-yne-3,6-diol
  • 4-Octyne-3,6-diol, 3,6-dimethyl-

Superlist Name

  • 3,6-Dimethyl-4-octyne-3,6-diol

Registry Numbers

CAS Registry Number

  • 78-66-0

FDA UNII

  • GFO2D7A38Q

System Generated Number

  • 0000078660

Structure Descriptors

InChI

1S/C10H18O2/c1-5-9(3,11)7-8-10(4,12)6-2/h11-12H,5-6H2,1-4H3

InChIKey

NUYADIDKTLPDGG-UHFFFAOYSA-N

Smiles

CCC(C)(O)C#CC(C)(O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 825mg/kg (825mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 477, 1954.
rat LD50 oral 1400mg/kg (1400mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR
National Technical Information Service. Vol. OTS0535966,