Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2,4-Hexanedione
RN: 3002-24-2
UNII: FMD32E86EP
InChIKey: NDOGLIPWGGRQCO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H10-O2

Molecular Weight

  • 114.143
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2,4-Hexanedione

Synonyms

  • 4-01-00-03687 (Beilstein Handbook Reference)
  • Acetone, propionyl-
  • AI3-19251
  • BRN 1071471
  • EINECS 221-094-1
  • NSC 88937
  • Propionylacetone
  • UNII-FMD32E86EP

Systematic Name

  • 2,4-Hexanedione

Registry Numbers

CAS Registry Number

  • 3002-24-2

FDA UNII

  • FMD32E86EP

System Generated Number

  • 0003002242

Structure Descriptors

InChI

1S/C6H10O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3

InChIKey

NDOGLIPWGGRQCO-UHFFFAOYSA-N

Smiles

O=C(CC(=O)C)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 221, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 160 deg C   EXP
log P (octanol-water) 0.540 (none)   EST
Atmospheric OH Rate Constant 1.86E-12 cm3/molecule-sec 25 EST

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