Back to Search
Tetrahydrofurfuryl Acetate
CAS: 637-64-9 | C7H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
637-64-9
Molecular Formula:
C7H12O3
Molecular Mass:
144.17 g/mol
Names and Synonyms:
Tetrahydrofurfuryl Acetate
2-Furanmethanol, tetrahydro-, 2-acetate
Furfuryl alcohol, tetrahydro-, acetate
2-Furanmethanol, tetrahydro-, acetate
Tetrahydrofurfuryl acetate
2-(Acetoxymethyl)oxolane
2-(Acetoxymethyl)tetrahydrofuran
NSC 4872
(Tetrahydrofuran-2-yl)methyl acetate
(Oxolan-2-yl)methyl acetate
Identifiers:
SMILES:
CC(=O)OCC1CCCO1
InChI:
InChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3
Key Properties
Boiling Point
193 °C
CAS Common Chemistry
Density
1.08 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 | 144.17 g/mol | CAS Common Chemistry |
| 144.078644244 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.0770 g/cm3 @ Temp: 23 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetrahydrofurfuryl_acetate | CAS Common Chemistry |
| Boiling Point | 193 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC1OCCC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AAQDYYFAFXGBFZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetrahydrofurfuryl acetate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 0.7284999999999999 | RDKit |
| Molar Refractivity | 35.607 | RDKit |
