Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Ethynylcyclohexanol
RN: 78-27-3
UNII: 6RV04025EH
InChIKey: QYLFHLNFIHBCPR-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H12-O

Molecular Weight

  • 124.182
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1-Ethynylcyclohexanol

Synonyms

  • (1-Hydroxycyclohexyl)ethyne
  • 1-Ethynyl-1-hydroxycyclohexane
  • 1-Ethynylcyclohexan-1-ol
  • 1-Ethynylcyclohexanol
  • 4-06-00-00348 (Beilstein Handbook Reference)
  • AI3-07064
  • BRN 0471404
  • EC 201-100-9
  • EINECS 201-100-9
  • Ethynylcyclohexanol
  • NSC 8194
  • UNII-6RV04025EH

Systematic Names

  • 1-Ethynylcyclohexanol
  • Cyclohexanol, 1-ethynyl-

Registry Numbers

CAS Registry Number

  • 78-27-3

FDA UNII

  • 6RV04025EH

Other Registry Number

  • 1612287-66-7

System Generated Number

  • 0000078273

Structure Descriptors

InChI

1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2

InChIKey

QYLFHLNFIHBCPR-UHFFFAOYSA-N

Smiles

C1(CCCCC1)(C#C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 161, 1955.
rabbit LD50 skin 1mL/kg (1mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 600uL/kg (0.6mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 31.5 deg C   EXP
Boiling Point 174 deg C   EXP
log P (octanol-water) 1.73 (none)   EXP
Water Solubility 1.04E+04 mg/L 25 EST
Vapor Pressure 0.133 mm Hg 25 EST
Henry's Law Constant 1.07E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.01E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.