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Substance Name: Propiolactone [USAN:INN:BAN]
RN: 57-57-8
UNII: 6RC3ZT4HB0
InChIKey: VEZXCJBBBCKRPI-UHFFFAOYSA-N

Note

  • Disinfectant used in vapor form to sterilize vaccines, grafts, etc. The vapor is very irritating and the liquid form is carcinogenic.

Molecular Formula

  • C3-H4-O2

Molecular Weight

  • 72.0626
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Anti-Infective Agents
  • Disinfectant
  • Disinfectants
  • Germicide, Bactericide, Disinfectant
  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 10 lb
  • Threshold Planning Quantity (TPQ) = 500 lb
  • TWA (0.5 ppm); Confirmed animal carcinogen with unknown relevance to humans
  • TWA see 1910.1013

Names and Synonyms

Name of Substance

  • beta-Propiolactone
  • Propiolactone [USAN:INN:BAN]

MeSH Heading

  • Propiolactone

Synonyms

  • 1,3-Propiolactone
  • 2-Oxetanone
  • 3-Hydroxypropionic acid lactone
  • 3-Propanolide
  • 3-Propiolactone
  • 5-17-09-00003 (Beilstein Handbook Reference)
  • AI3-24257
  • beta-Propanoic acid lactone
  • beta-Propiolactone
  • beta-Propiolakton
  • beta-Propiolakton [Czech]
  • beta-Propionolactone
  • beta-Proprolactone
  • Betaprone
  • BPL
  • BRN 0001360
  • Caswell No. 709
  • CCRIS 536
  • EC 200-340-1
  • EINECS 200-340-1
  • EPA Pesticide Chemical Code 010901
  • HSDB 811
  • Hydracrylic acid beta-lactone
  • NSC 21626
  • Propanoic acid, 3-hydroxy-, beta-lactone
  • Propanolide
  • Propiolactona
  • Propiolactona [INN-Spanish]
  • Propiolactone
  • Propiolactonum
  • Propiolactonum [INN-Latin]
  • Propiolattone
  • Propiolattone [DCIT]
  • Propionic acid, 3-hydroxy-, beta-lactone
  • UNII-6RC3ZT4HB0

Systematic Names

  • 2-Oxetanone
  • Propiolactone

Superlist Names

  • 2-Oxetanone
  • beta-Propiolactone
  • Propiolactone, beta-

Registry Numbers

CAS Registry Number

  • 57-57-8

FDA UNII

  • 6RC3ZT4HB0

System Generated Number

  • 0000057578

Structure Descriptors

InChI

InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2

InChIKey

VEZXCJBBBCKRPI-UHFFFAOYSA-N

Smiles

O=C1CCO1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 405mg/kg (405mg/kg)   JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 911, 1979.
rat LC50 inhalation 25ppm/6H (25ppm)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 497, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.34E+01 deg C   EXP
Boiling Point 162 deg C   EXP
log P (octanol-water) -0.800 (none)   EST
Water Solubility 3.70E+05 mg/L 25 EXP
Vapor Pressure 3.400 mm Hg 25 EST
Henry's Law Constant 1.28E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.14E-13 cm3/molecule-sec 25 EST

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