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Substance Name: 1,4-Bis(1-hydroxycyclohexyl)-1,3-butadiyne
RN: 5768-10-5
UNII: H52T9NIS3Q
InChIKey: KJOFBMLTQUHDCL-UHFFFAOYSA-N

Molecular Formula

  • C16-H22-O2

Molecular Weight

  • 246.348
 
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Names and Synonyms

Name of Substance

  • 1,4-Bis(1-hydroxycyclohexyl)-1,3-butadiyne

Synonyms

  • 4-06-00-06483 (Beilstein Handbook Reference)
  • Bis(1-hydroxycyclohexyl)butadiyne
  • BRN 1246867
  • Cyclohexanol, 1,1'-butadiynylenedi-
  • NSC 407601
  • UNII-H52T9NIS3Q

Systematic Names

  • Cyclohexanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis- (9CI)
  • Cyclohexanol, 1,1'-butadiynylenedi-

Registry Numbers

CAS Registry Number

  • 5768-10-5

FDA UNII

  • H52T9NIS3Q

System Generated Number

  • 0005768105

Structure Descriptors

InChI

1S/C16H22O2/c17-15(9-3-1-4-10-15)13-7-8-14-16(18)11-5-2-6-12-16/h17-18H,1-6,9-12H2

InChIKey

KJOFBMLTQUHDCL-UHFFFAOYSA-N

Smiles

C(C#CC1(O)CCCCC1)#CC1(O)CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02803,