Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-Hexen-1-yn-3-one
RN: 13061-80-8
InChIKey: UCQNRUHGBZEFQY-HWKANZROSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H6-O

Molecular Weight

  • 94.1124
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3-01-00-03063 (Beilstein Handbook Reference)
  • 4-Hexene-1-yne-3-one
  • BRN 1739154

Systematic Name

  • 4-Hexen-1-yn-3-one

Registry Numbers

CAS Registry Number

  • 13061-80-8

System Generated Number

  • 0013061808

Structure Descriptors

InChI

1S/C6H6O/c1-3-5-6(7)4-2/h2-3,5H,1H3/b5-3+

InChIKey

UCQNRUHGBZEFQY-HWKANZROSA-N

Smiles

C(\C=C\C)(C#C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 100uL/kg (0.1mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 13ppm/4H (13ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 71mg/kg (71mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.