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2-Hydroxy-4′-(2-Hydroxyethoxy)-2-Methylpropiophenone
CAS: 106797-53-9 | C12H16O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
106797-53-9
Molecular Formula:
C12H16O4
Molecular Mass:
224.26 g/mol
Names and Synonyms:
2-Hydroxy-4′-(2-Hydroxyethoxy)-2-Methylpropiophenone
1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-
UV 2959
IRG 2959
2-Hydroxy-4′-hydroxyethoxy-2-methylpropiophenone
Photoinitiator 2959
2-Hydroxy-2-methyl-1-[4-(2-hydroxyethoxy)phenyl]propan-1-one
Photoinitiator 659
Irgacure I 2959
3-[4-(2-Hydroxyethoxy)phenyl]-2-methyl-3-oxopropan-2-ol
IC 2959
JRCure 1113
Omnirad 2959
Gencure 2959
Irgacure D 2959
2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-1-propanone
Darocur 2959
ZLI 2959
Irgacure 2959
Darocur 2595
4-(2-Hydroxyethoxy)phenyl 2-hydroxy-2-propyl ketone
1-[4-(2-Hydroxyethoxy)phenyl]-2-hydroxy-2-methyl-1-propanone
2-Hydroxy-4′-(2-hydroxyethoxy)-2-methylpropiophenone
D 2959
DC 2959
I 2959
1-[4-(2-Hydroxyethoxy)phenyl]-2-hydroxy-2-methyl-1-propan-1-one
IRGC 2959
Identifiers:
SMILES:
CC(C)(O)C(=O)c1ccc(OCCO)cc1
InChI:
InChI=1S/C12H16O4/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13/h3-6,13,15H,7-8H2,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 224.26 g/mol | CAS Common Chemistry |
| 224.25599999999997 g/mol | RDKit | |
| 224.104858992 g/mol | RDKit | |
| Canonical SMILES | O=C(C1=CC=C(OCCO)C=C1)C(O)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H16O4/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13/h3-6,13,15H,7-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GJKGAPPUXSSCFI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Hydroxy-4′-(2-hydroxyethoxy)-2-methylpropiophenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | 1.0112999999999999 | RDKit |
| Molar Refractivity | 59.65110000000004 | RDKit |
