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Anisaldehyde Dimethyl Acetal
CAS: 2186-92-7 | C10H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2186-92-7
Molecular Formula:
C10H14O3
Molecular Mass:
182.22 g/mol
Names and Synonyms:
Anisaldehyde Dimethyl Acetal
Benzene, 1-(dimethoxymethyl)-4-methoxy-
p-Anisaldehyde, dimethyl acetal
Toluene, p,α,α-trimethoxy-
1-(Dimethoxymethyl)-4-methoxybenzene
p-Methoxybenzaldehyde dimethyl acetal
4-Methoxybenzaldehyde dimethyl acetal
Anisaldehyde dimethyl acetal
(p-Methoxyphenyl)dimethoxymethane
Anisic aldehyde dimethyl acetal
Dimethoxy(4-methoxyphenyl)methane
4-Anisaldehyde dimethyl acetal
p-(Dimethoxymethyl)anisole
Identifiers:
SMILES:
COc1ccc(C(OC)OC)cc1
InChI:
InChI=1S/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3
Key Properties
Boiling Point
123 °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 | 182.22 g/mol | CAS Common Chemistry |
| 182.219 g/mol | RDKit | |
| 182.094294308 g/mol | RDKit | |
| Boiling Point | 123 °C | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1)C(OC)OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NNHYAHOTXLASEA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Anisaldehyde dimethyl acetal | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.9866 | RDKit |
| Molar Refractivity | 49.753000000000036 | RDKit |
