|
|
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
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
* 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
- 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/h1-5H2InChIKey
PAPBSGBWRJIAAV-UHFFFAOYSA-NSmiles
C1(CCCCCO1)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.