Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pent-2-enoic acid
RN: 626-98-2
InChIKey: YIYBQIKDCADOSF-ONEGZZNKSA-N

Molecular Formula

  • C5-H8-O2

Molecular Weight

  • 100.116
 
* 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

  • Pent-2-enoic acid

Synonyms

  • 2-Pentenoic acid
  • EINECS 210-975-6
  • NSC 26713

Systematic Name

  • Pent-2-enoic acid

Registry Numbers

CAS Registry Number

  • 626-98-2

System Generated Number

  • 0000626982

Structure Descriptors

InChI

1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+

InChIKey

YIYBQIKDCADOSF-ONEGZZNKSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1580mg/kg (1580mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
mouse LD50 subcutaneous 1580mg/kg (1580mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.350 (none)   EST
Water Solubility 6.29E+04 mg/L 20 EXP
Atmospheric OH Rate Constant 2.14E-11 cm3/molecule-sec 25 EST

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