Back to Search
2-Methyl-1,3-Dioxolane
CAS: 497-26-7 | C4H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
497-26-7
Molecular Formula:
C4H8O2
Molecular Mass:
88.11 g/mol
Names and Synonyms:
2-Methyl-1,3-Dioxolane
1,3-Dioxolane, 2-methyl-
2-Methyl-1,3-dioxolane
2-Methyldioxolane
2-Methyl-1,3-dioxacyclopentane
Methyl dioxolane
NSC 5209
Identifiers:
SMILES:
CC1OCCO1
InChI:
InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
Key Properties
Boiling Point
81.5 °C
CAS Common Chemistry
Density
0.98 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 | 88.11 g/mol | CAS Common Chemistry |
| 88.106 g/mol | RDKit | |
| 88.052429496 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9795 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 81.5 °C | CAS Common Chemistry |
| Canonical SMILES | O1CCOC1C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HTWIZMNMTWYQRN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Methyl-1,3-dioxolane | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 0.3792 | RDKit |
| Molar Refractivity | 21.365999999999993 | RDKit |
