Skip Navigation
ChemIDplus Lite•Browse•Advanced

Substance Name: Dehydroacetic Acid [USAN]
RN: 520-45-6
UNII: 2KAG279R6R
InChIKey: PKLPQOJFHFGVBS-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Tumor Data

Molecular Formula

  • C8-H8-O4

Molecular Weight

  • 168.1472
 
* 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

  • 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-
  • 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, ion(1-),
  • Dehydroacetic acid
  • Dehydroacetic Acid [USAN]

Synonyms

  • 2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, delta-lactone
  • 2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-
  • 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one
  • 3-Acetyl-6-methyl-2,4-pyrandione
  • 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione
  • 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione. enol form
  • 3-Acetyl-6-methyldihydropyrandione-2,4
  • 3-Acetyl-6-methylpyran-2,4(3H)-dione
  • 4-17-00-06699 (Beilstein Handbook Reference)
  • 4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo-, delta-lactone
  • Acetic acid, dehydro-
  • AI3-01464
  • Biocide 470F
  • BRN 0006129
  • Caswell No. 278
  • Dehydracetic acid
  • Dehydroacetic acid
  • DHA (VAN)
  • DHAA
  • DHS
  • EINECS 208-293-9
  • EPA Pesticide Chemical Code 027801
  • HSDB 291
  • Kyselina dehydroacetova
  • Kyselina dehydroacetova [Czech]
  • Methylacetopyronone
  • NSC 139150
  • NSC 8770
  • UNII-2KAG279R6R

Systematic Names

  • 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-
  • 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione

Superlist Name

  • Dehydroacetic acid

Registry Numbers

CAS Registry Number

  • 520-45-6

FDA UNII

  • 2KAG279R6R

Other Registry Number

  • 53488-80-5

System Generated Number

  • 0000520456

Structure Descriptors

InChI

InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,10H,1-2H3

InChIKey

PKLPQOJFHFGVBS-UHFFFAOYSA-N

Smiles

CC(=O)C1=C(O)C=C(C)OC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1186mg/kg (1186mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 98, 1950.
mouse LD50 oral 1330mg/kg (1330mg/kg)   Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. Vol. 12, Pg. 520, 1971.
rabbit LDLo skin 5gm/kg (5000mg/kg)   Journal of the American College of Toxicology. Vol. 4(3), Pg. 123, 1985.
rat LD50 oral 500mg/kg (500mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 109 deg C   EXP
Boiling Point 270 deg C   EXP
log P (octanol-water) 0.780 (none)   EST
Water Solubility 690 mg/L 25 EXP
Henry's Law Constant 1.73E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.88E-11 cm3/molecule-sec 25 EST

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