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Substance Name: 4-Pentynoic acid
RN: 6089-09-4
InChIKey: MLBYLEUJXUBIJJ-UHFFFAOYSA-N

Molecular Formula

  • C5-H6-O2

Molecular Weight

  • 98.1004
 
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Names and Synonyms

Name of Substance

  • 4-Pentynoic acid

Synonyms

  • 4-02-00-01693 (Beilstein Handbook Reference)
  • 4-Pentynoic acid
  • BRN 1742047
  • EINECS 228-028-0
  • Pent-4-yn-1-oic acid
  • Propargylacetic acid

Systematic Name

  • Pent-4-ynoic acid

Registry Numbers

CAS Registry Number

  • 6089-09-4

System Generated Number

  • 0006089094

Structure Descriptors

InChI

1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7)

InChIKey

MLBYLEUJXUBIJJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 28mg/kg (28mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12263,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 57.7 deg C   EXP
log P (octanol-water) 0.790 (none)   EST
Atmospheric OH Rate Constant 9.53E-12 cm3/molecule-sec 25 EST

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