Back to Search
Tetrahydrofurfuryl Propionate
CAS: 637-65-0 | C8H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
637-65-0
Molecular Formula:
C8H14O3
Molecular Mass:
158.20 g/mol
Names and Synonyms:
Tetrahydrofurfuryl Propionate
2-Furanmethanol, tetrahydro-, 2-propanoate
Furfuryl alcohol, tetrahydro-, propionate
2-Furanmethanol, tetrahydro-, propanoate
Propionic acid, tetrahydrofurfuryl ester
Tetrahydrofurfuryl propionate
ENT 4296
(Oxolan-2-yl)methyl propanoate
(Tetrahydrofuran-2-yl)methylpropionate
Identifiers:
SMILES:
CCC(=O)OCC1CCCO1
InChI:
InChI=1S/C8H14O3/c1-2-8(9)11-6-7-4-3-5-10-7/h7H,2-6H2,1H3
Key Properties
Boiling Point
205.5 °C
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 | 158.20 g/mol | CAS Common Chemistry |
| 158.19699999999997 g/mol | RDKit | |
| 158.094294308 g/mol | RDKit | |
| Boiling Point | 205.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC1OCCC1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O3/c1-2-8(9)11-6-7-4-3-5-10-7/h7H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FMKCDSXOYLTWBR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetrahydrofurfuryl propionate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 1.1186 | RDKit |
| Molar Refractivity | 40.22400000000001 | RDKit |
