Back to Search
Molecule
Phenylacetaldehyde Dimethyl Acetal
CAS: 101-48-4 · C10H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 101-48-4
- Molecular Formula
- C10H14O2
- Molecular Mass
- 166.22 g/mol
Identifiers
CAS Registry Number
101-48-4
SMILES
COC(Cc1ccccc1)OC
InChI Key
WNJSKZBEWNVKGU-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
Names and Synonyms
- Phenylacetaldehyde Dimethyl Acetal Common Name
- Benzene, (2,2-dimethoxyethyl)- Synonym
- Acetaldehyde, phenyl-, dimethyl acetal Synonym
- (2,2-Dimethoxyethyl)benzene Synonym
- Phenylacetaldehyde dimethyl acetal Synonym
- α-Tolylaldehyde dimethyl acetal Synonym
- Hyscylene P Synonym
- 1,1-Dimethoxy-2-phenylethane Synonym
- 2,2-Dimethoxy-1-phenylethane Synonym
- 2-Phenylacetaldehyde dimethyl acetal Synonym
- NSC 5174 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.22 g/mol | CAS Common Chemistry |
| 166.21999999999997 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.005 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 219-221 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)C(OC)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WNJSKZBEWNVKGU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phenylacetaldehyde dimethyl acetal | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 1.8479999999999999 | RDKit |
| 1.848 | RDKit | |
| Molar Refractivity | 47.95200000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 166.099379688 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 = 166.22 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14O2.
