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Substance Name: Propiolic acid
RN: 471-25-0
UNII: P2QW39G9LZ
InChIKey: UORVCLMRJXCDCP-UHFFFAOYSA-N

Molecular Formula

  • C3-H2-O2

Molecular Weight

  • 70.0468
 
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Names and Synonyms

Name of Substance

  • Propiolic acid

Synonyms

  • Acetylenecarboxylic acid
  • Carboxyacetylene
  • EINECS 207-437-8
  • HSDB 7857
  • NSC 16152
  • Propargylic acid
  • Propiolic acid
  • Propynoic acid
  • UNII-P2QW39G9LZ

Systematic Names

  • 2-Propynoic acid
  • Propiolic acid

Registry Numbers

CAS Registry Number

  • 471-25-0

FDA UNII

  • P2QW39G9LZ

Related Registry Number

  • 920-38-7 (mono-hydrochloride salt)

System Generated Number

  • 0000471250

Structure Descriptors

InChI

1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)

InChIKey

UORVCLMRJXCDCP-UHFFFAOYSA-N

Smiles

C#CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin 100mg/kg (100mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982.
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982.
mouse LD50 oral 100mg/kg (100mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982.
rat LD50 intraperitoneal 25mg/kg (25mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982.
rat LD50 oral 100mg/kg (100mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 9 deg C   EXP
log P (octanol-water) -0.190 (none)   EST
Atmospheric OH Rate Constant 2.97E-12 cm3/molecule-sec 25 EST

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