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2,2-Dimethoxy-2-Phenylacetophenone
CAS: 24650-42-8 | C16H16O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
24650-42-8
Molecular Formula:
C16H16O3
Molecular Weight:
256.30100000000004 g/mol
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
Identifiers:
SMILES:
COC(OC)(C(=O)c1ccccc1)c1ccccc1
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 256.30 g/mol | Legacy Database |
| LogP | 3.015100000000002 | RDKit |
| wikipedia_url | https://en.wikipedia.org/wiki/2,2-Dimethoxy-2-phenylacetophenone None | Legacy Database |
| cas-boiling-point | 100-110 °C @ Press: 1 x 10-3 Torr None | Legacy Database |
| cas-canonical-smile | O=C(C=1C=CC=CC1)C(OC)(OC)C=2C=CC=CC2 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=KWVGIHKZDCUPEU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 63-64 °C None | Legacy Database |
| cas-name | 2,2-Dimethoxy-2-phenylacetophenone None | Legacy Database |
| wikipedia-name | 2,2-Dimethoxy-2-phenylacetophenone None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 256.30100000000004 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 256.10994437200003 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 19 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 72.91050000000004 | RDKit |