Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cyclooctatetraene
RN: 629-20-9
UNII: AJ19R479CQ
InChIKey: KDUIUFJBNGTBMD-BONZMOEMSA-N

Molecular Formula

  • C8-H8

Molecular Weight

  • 104.151
 
* 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

  • Cyclooctatetraene

Synonyms

  • (8)Annulene
  • Cyclooctatetraene
  • EINECS 211-080-3
  • NSC 5093
  • UNII-AJ19R479CQ

Systematic Names

  • 1,3,5,7-Cyclooctatetraene
  • Cyclooctatetraene

Superlist Names

  • Cyclooctatetraene [UN2358] [Flammable liquid]
  • UN2358

Registry Numbers

CAS Registry Number

  • 629-20-9

FDA UNII

  • AJ19R479CQ

System Generated Number

  • 0000629209

Structure Descriptors

InChI

1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-

InChIKey

KDUIUFJBNGTBMD-BONZMOEMSA-N

Smiles

C=1C=CC=CC=CC1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.70E+00 deg C   EXP
Boiling Point 140.5 deg C   EXP
log P (octanol-water) 3.08 (none)   EXP
Water Solubility 77.3 mg/L 25 EST
Vapor Pressure 7.8 mm Hg 25 EXP
Henry's Law Constant 0.062 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.05E-10 cm3/molecule-sec 25 EST

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