Back to Search
Molecule
Dimethyl Acetal
CAS: 534-15-6 · C4H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 534-15-6
- Molecular Formula
- C4H10O2
- Molecular Mass
- 90.12 g/mol
Identifiers
CAS Registry Number
534-15-6
SMILES
COC(C)OC
InChI Key
SPEUIVXLLWOEMJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3
Names and Synonyms
- Dimethyl Acetal Synonym
- Ethane, 1,1-dimethoxy- Synonym
- Acetaldehyde, dimethyl acetal Synonym
- 1,1-Dimethoxyethane Synonym
- Dimethyl acetal Synonym
- Ethylidene dimethyl ether Synonym
- Acetaldehyde methyl acetal Synonym
- 3-Methyl-2,4-dioxapentane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 90.12 g/mol | CAS Common Chemistry |
| 90.122 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.85015 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 64.5 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)C(OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SPEUIVXLLWOEMJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -113.2 °C | CAS Common Chemistry |
| Name | Dimethyl acetal | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 0.6252 | RDKit |
| Molar Refractivity | 23.47999999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 90.06807956 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 90.12 g/mol; density = 0.850 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10O2.
