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Molecule
2,2-Dimethoxy-2-Phenylacetophenone
CAS: 24650-42-8 · C16H16O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 24650-42-8
- Molecular Formula
- C16H16O3
- Molecular Mass
- 256.30 g/mol
Identifiers
CAS Registry Number
24650-42-8
SMILES
COC(OC)(C(=O)c1ccccc1)c1ccccc1
InChI Key
KWVGIHKZDCUPEU-UHFFFAOYSA-N
InChI
InChI=1S/C16H16O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,1-2H3
Names and Synonyms
- 2,2-Dimethoxy-2-Phenylacetophenone Synonym
- Ethanone, 2,2-dimethoxy-1,2-diphenyl- Synonym
- Benzil dimethyl acetal Synonym
- 2,2-Dimethoxy-1,2-diphenylethanone Synonym
- Benzil mono(dimethyl ketal) Synonym
- Benzil mono(dimethyl acetal) Synonym
- Irgacure 651 Synonym
- α,α-Dimethoxy-α-phenylacetophenone Synonym
- Irgacure E 651 Synonym
- 1,2-Diphenyl-2,2-dimethoxyethanone Synonym
- 2-Phenyl-2,2-dimethoxyacetophenone Synonym
- 2,2-Dimethoxy-1,2-diphenyl-1-ethanone Synonym
- Benzil dimethyl ketal Synonym
- Lucirin BDK Synonym
- ω,ω-Dimethoxy-ω-phenylacetophenone Synonym
- Irgacure 951 Synonym
- α,α-Dimethoxydeoxybenzoin Synonym
- 2,2-Dimethoxy-2-phenylacetophenone Synonym
- Esacure KB 1 Synonym
- Irgacure 641 Synonym
- Irgacure I 651 Synonym
- DMPA Synonym
- KB 1 Synonym
- 2,2-Dimethoxyphenylacetophenone Synonym
- Kayacure BDMK Synonym
- Irgacure 621 Synonym
- IRG 651 Synonym
- I 651 Synonym
- IR 651 Synonym
- Photomer 51 Synonym
- Aronix C 101 Synonym
- Quantacure BDK Synonym
- C 101 Synonym
- Irgacure 654 Synonym
- Irgacure 671 Synonym
- Benzoin dimethyl ether Synonym
- BDK Synonym
- Micure BK 6 Synonym
- Photocure 51 Synonym
- Omnirad BDK Synonym
- Chemcure BDK Synonym
- Photoinitiator 651 Synonym
- Speedcure BKL Synonym
- 2,2-Dimethoxy-1,2-diphenylethan-1-one Synonym
- PIBDK Synonym
- Ciba 651 Synonym
- Photoinitiator 6512 Synonym
- UV 651 Synonym
- IC 127 Synonym
- Doublecure BDK Synonym
- Omnirad 651 Synonym
- Photoinitiator BDK Synonym
- C 61 Synonym
- SB-PI 751 Synonym
- Runtecure 1065 Synonym
- 2,2-Dimethoxy-2-diphenylacetophenone Synonym
- Gencure BDK Synonym
- BK 6 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.30 g/mol | CAS Common Chemistry |
| 256.30100000000004 g/mol | RDKit | |
| 256.301 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,2-Dimethoxy-2-phenylacetophenone | CAS Common Chemistry |
| Boiling Point | 100-110 °C @ Press: 1 x 10-3 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C(OC)(OC)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H16O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KWVGIHKZDCUPEU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63-64 °C | CAS Common Chemistry |
| Name | 2,2-Dimethoxy-2-phenylacetophenone | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 3.015100000000002 | RDKit |
| 3.0151 | RDKit | |
| Molar Refractivity | 72.91050000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1875 | RDKit |
| 0.19 | chempirical lib | |
| Exact Mass | 256.10994437200003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 256.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H16O3.
