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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
 
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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

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.