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2,2-Dimethoxyacetaldehyde
CAS: 51673-84-8 | C4H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51673-84-8
Molecular Formula:
C4H8O3
Molecular Mass:
104.11 g/mol
Names and Synonyms:
2,2-Dimethoxyacetaldehyde
Acetaldehyde, 2,2-dimethoxy-
Acetaldehyde, dimethoxy-
Glyoxal, dimethyl acetal
2,2-Dimethoxyacetaldehyde
Dimethoxyacetaldehyde
2,2-Dimethoxyethanal
Dimethoxyethanal
Highlink DM
Glyoxal 1,1-dimethyl acetal
Dimethoxyacetaldehdye
Identifiers:
SMILES:
COC(C=O)OC
InChI:
InChI=1S/C4H8O3/c1-6-4(3-5)7-2/h3-4H,1-2H3
Key Properties
Boiling Point
58-61 °C @ Press: 39 Torr
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 | 104.11 g/mol | CAS Common Chemistry |
| 104.105 g/mol | RDKit | |
| 104.047344116 g/mol | RDKit | |
| Boiling Point | 58-61 °C @ Press: 39 Torr | CAS Common Chemistry |
| Canonical SMILES | O=CC(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O3/c1-6-4(3-5)7-2/h3-4H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OGFKTAMJLKHRAZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2-Dimethoxyacetaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | -0.19579999999999997 | RDKit |
| Molar Refractivity | 23.86999999999999 | RDKit |
