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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
Ethanone, 2,2-dimethoxy-1,2-diphenyl-
Benzil dimethyl acetal
2,2-Dimethoxy-1,2-diphenylethanone
Benzil mono(dimethyl ketal)
Benzil mono(dimethyl acetal)
Irgacure 651
α,α-Dimethoxy-α-phenylacetophenone
Irgacure E 651
1,2-Diphenyl-2,2-dimethoxyethanone
2-Phenyl-2,2-dimethoxyacetophenone
2,2-Dimethoxy-1,2-diphenyl-1-ethanone
Benzil dimethyl ketal
Lucirin BDK
ω,ω-Dimethoxy-ω-phenylacetophenone
Irgacure 951
α,α-Dimethoxydeoxybenzoin
2,2-Dimethoxy-2-phenylacetophenone
Esacure KB 1
Irgacure 641
Irgacure I 651
DMPA
KB 1
2,2-Dimethoxyphenylacetophenone
Kayacure BDMK
Irgacure 621
IRG 651
I 651
IR 651
Photomer 51
Aronix C 101
Quantacure BDK
C 101
Irgacure 654
Irgacure 671
Benzoin dimethyl ether
BDK
Micure BK 6
Photocure 51
Omnirad BDK
Chemcure BDK
Photoinitiator 651
Speedcure BKL
2,2-Dimethoxy-1,2-diphenylethan-1-one
PIBDK
Ciba 651
Photoinitiator 6512
UV 651
IC 127
Doublecure BDK
Omnirad 651
Photoinitiator BDK
C 61
SB-PI 751
Runtecure 1065
2,2-Dimethoxy-2-diphenylacetophenone
Gencure BDK
BK 6

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.

External Resources

All Properties

Comprehensive physical and chemical properties

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

Physical Properties

Property Value Source
LogP 3.015100000000002 RDKit
molecular_mass 256.30 g/mol Legacy Database
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

Molar

Property Value Source
Molar Refractivity 72.91050000000004 RDKit

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