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Polycaprolactone
CAS: 24980-41-4 | C6H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24980-41-4
Molecular Formula:
C6H10O2
Molecular Mass:
114.14 g/mol
Names and Synonyms:
Polycaprolactone
2-Oxepanone, homopolymer
2-Oxepanone, polyesters
Poly(ε-caprolactone)
ε-Caprolactone polyester
Caprolactone polymer
ε-Caprolactone polymer
ε-Caprolactone polymers
Caprolactone oligomer
Caprolactone homopolymer
ε-Caprolactone homopolymer
Poly(ε-caprolactone), monomer-based
Polycaprolactone
6-Hexanolide homopolymer
Poly-carprolactone
Poly(ε-caprolactone) diol
Purasorb PC 17
Identifiers:
SMILES:
O=C1CCCCCO1
InChI:
InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
Key Properties
Melting Point
50-100 °C
CAS Common Chemistry
Density
1.20 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.14 g/mol | CAS Common Chemistry |
| 114.144 g/mol | RDKit | |
| 114.06807956 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.2 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Polycaprolactone | CAS Common Chemistry |
| Canonical SMILES | O=C1OCCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 50-100 °C | CAS Common Chemistry |
| Name | Polycaprolactone | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.1036000000000001 | RDKit |
| Molar Refractivity | 29.426999999999985 | RDKit |
