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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
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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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/h1-5H2InChIKey
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.