Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Diallylacetic acid
RN: 99-67-2
UNII: 4283Q9901Q
InChIKey: OKJQSUPURXTNME-UHFFFAOYSA-N

Molecular Formula

  • C8-H12-O2

Molecular Weight

  • 140.1808
 
* 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

Name of Substance

  • Diallylacetic acid

Synonyms

  • 2-(2-Propenyl)-4-pentenoic acid
  • 2-Propenyl-4-pentenoic acid
  • 3-02-00-01467 (Beilstein Handbook Reference)
  • 4,4'-Dien-valproic acid
  • alpha,alpha-Diallylacetic acid
  • BRN 1702223
  • Diallyl-acetic acid
  • Diallylacetic acid
  • UNII-4283Q9901Q

Systematic Names

  • 4-Pentenoic acid, 2-(2-propenyl)- (9CI)
  • 4-Pentenoic acid, 2-allyl-

Registry Numbers

CAS Registry Number

  • 99-67-2

FDA UNII

  • 4283Q9901Q

System Generated Number

  • 0000099672

Structure Descriptors

InChI

1S/C8H12O2/c1-3-5-7(6-4-2)8(9)10/h3-4,7H,1-2,5-6H2,(H,9,10)

InChIKey

OKJQSUPURXTNME-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 630mg/kg (630mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 8, Pg. 299, 1949.
rat LD50 oral 570mg/kg (570mg/kg)   Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rat LD50 oral 570mg/kg (570mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.