Caprolactone

Base Information Edit

Chemical Name:Caprolactone
CAS No.:502-44-3
Deprecated CAS:52004-64-5,67184-99-0,80137-66-2,80137-66-2
Molecular Formula:C6H10O2
Molecular Weight:114.144
Hs Code.:2932209090
European Community (EC) Number:207-938-1
ICSC Number:1741
UNII:56RE988L1R
DSSTox Substance ID:DTXSID4027159
Nikkaji Number:J1.566K
Wikipedia:Caprolactone
Wikidata:Q288104
RXCUI:1998122
Metabolomics Workbench ID:51089
ChEMBL ID:CHEMBL373123
Mol file:502-44-3.mol

Synonyms:caprolactone;epsilon-caprolactone;epsilon-captolactamium hydrogen sulfate

Suppliers and Price of Caprolactone

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 153 raw suppliers

Chemical Property of Caprolactone Edit

Chemical Property:

Appearance/Colour:Clear colorless liquid, yellowing on ageing
Melting Point:-1 °C
Refractive Index:n20/D 1.463(lit.)
Boiling Point:225.393 °C at 760 mmHg
Flash Point:84.805 °C
PSA：26.30000
Density:1.022 g/cm³
LogP:1.10360
Water Solubility.:>1000 mg/L (20℃)
XLogP3:0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:114.068079557
Heavy Atom Count:8
Complexity:88.5

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes: Xi:Irritant;
Statements: R36/38:;
Safety Statements: S26:; S37/39:;

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Lactones
Canonical SMILES:C1CCC(=O)OCC1
Recent ClinicalTrials:Blood Lipid-lowering Effect of Brown Alga Ecklonia Cava
Inhalation Risk:Evaporation at 20 °C is negligible; a nuisance-causing concentration of airborne particles can, however, be reached quickly on spraying.
Effects of Short Term Exposure:The substance is irritating to the eyes.

Technology Process of Caprolactone

There total 209 articles about Caprolactone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

: 885-77-8
4,4'-dimethylbenzhydrol

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 502-44-3,24980-41-4,80137-66-2
hexahydro-2H-oxepin-2-one

: 611-97-2
bis(p-methylphenyl)-methanone

Guidance literature:: 4,4'-dimethylbenzhydrol; cyclohexanone; With N-hydroxyphthalimide; 2,2'-azobis(isobutyronitrile); oxygen; In ethyl acetate; at 75 ℃; for 8h;

With bis(3-trifluoromethyl) diselenide; In 2,2,2-trifluoroethanol; ethyl acetate; at 30 ℃; for 6h;

Reference yield: 85.0%

: 124-04-9
Adipic acid

: 502-44-3,24980-41-4,80137-66-2
hexahydro-2H-oxepin-2-one

Guidance literature:: With hydrogen; In water; at 375 ℃; for 5h;

Reference yield: 43.0%

: 185614-71-5
7,15,16-Trioxa-dispiro[5.1.6.2]hexadecane

: 502-44-3,24980-41-4,80137-66-2
hexahydro-2H-oxepin-2-one

: 539-87-7
oxocan-2-one

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 502-42-1
cycloheptanone

Guidance literature:: With titanium tetrachloride; at -78 ℃; Further Variations:; Reagents; Temperatures; Product distribution;
DOI:10.1039/b001391i