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Substance Name: Caprolactone
RN: 502-44-3
UNII: 56RE988L1R
InChIKey: PAPBSGBWRJIAAV-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H10-O2

Molecular Weight

  • 114.143
 
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Names and Synonyms

Name of Substance

  • Caprolactone

Synonyms

  • 1,6-Hexanolide
  • 2-Oxepanone
  • 5-17-09-00034 (Beilstein Handbook Reference)
  • 6-Hexanolactone
  • 6-Hydroxyhexanoic acid lactone
  • BRN 0106919
  • Caprolactone
  • EC 207-938-1
  • EINECS 207-938-1
  • Epsilon-caprolactone
  • epsilon-Kaprolakton
  • epsilon-Kaprolakton [Czech]
  • Hexamethylene oxide, 2-oxo-
  • Hexanoic acid, 6-hydroxy-, epsilon-lactone
  • Hexanoic acid, epsilon-lactone
  • HSDB 5670
  • Placcel M
  • UNII-56RE988L1R

Systematic Names

  • 2-Oxepanone
  • Hexan-6-olide
  • Hexanoic acid, epsilon-lactone

Superlist Names

  • 2-Oxepanone
  • Caprolactone

Registry Numbers

CAS Registry Number

  • 502-44-3

FDA UNII

  • 56RE988L1R

Other Registry Numbers

  • 52004-64-5
  • 67184-99-0
  • 80137-66-2

System Generated Number

  • 0000502443

Structure Descriptors

InChI

1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2

InChIKey

PAPBSGBWRJIAAV-UHFFFAOYSA-N

Smiles

C1(CCCCCO1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1300mg/kg (1300mg/kg)   JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 911, 1979.
rabbit LD50 skin 5990uL/kg (5.99mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 4290mg/kg (4290mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.80E+01 deg C   EXP
Boiling Point 215 deg C   EXP
log P (octanol-water) 0.680 (none)   EST
Water Solubility 112 mg/L 25 EST
Vapor Pressure 0.135 mm Hg 25 EXP
Henry's Law Constant 1.81E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.81E-12 cm3/molecule-sec 25 EST

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