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2-Hydroxy-2-Methyl-1-Phenylpropan-1-One
CAS: 7473-98-5 | C10H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7473-98-5
Molecular Formula:
C10H12O2
Molecular Weight:
164.204 g/mol
Names and Synonyms:
2-Hydroxy-2-Methyl-1-Phenylpropan-1-One
Common Name
Lunacure 100
Synonym
PI 1173
Synonym
IGM 1173
Synonym
Photoinitiator 1173D
Synonym
Darocur 1173D
Synonym
Gencure 1173
Synonym
Darocur 1137
Synonym
Photo 1173
Synonym
MV 5002
Synonym
IC 1173
Synonym
Omnirad 1173
Synonym
2-Methyl-3-phenyl-3-oxopropan-2-ol
Synonym
Hydroxy dimethyl acetophenone
Synonym
API 1173
Synonym
2-Hydroxy-2-methylphenylpropanone
Synonym
2-Hydroxy-methylphenylpropan-1-one
Synonym
JRcure 1173
Synonym
Doublecure 1173
Synonym
Boxing 1173
Synonym
2,2-Dimethyl-2-hydroxyacetophenone
Synonym
JRCure 1103
Synonym
Methyl-1-phenylpropan-1-one
Synonym
HMPP
Synonym
IRG 1173
Synonym
AgiSyn 1810
Synonym
Photoinitiator 1173
Synonym
1173HMPE
Synonym
Chemcure 73
Synonym
2-Hydroxy-2-methyl-1-phenylpropan-1-one
Synonym
Darocur DR 1173
Synonym
H 0991
Synonym
Esacure KL 200
Synonym
Genocure DHMA
Synonym
UV 636
Synonym
IHT-PI PBZ
Synonym
IHT-PI 6022
Synonym
Doublecure 173
Synonym
2-Hydroxy-2-methyl-propylphenone
Synonym
2-Hydroxy-2-methyl-1-propiophenone
Synonym
Genocure DMHA
Synonym
Photocure 1173
Synonym
Ciba 1173
Synonym
Runtecure 1173
Synonym
α,α-Dimethyl-α-hydroxyacetophenone
Synonym
DAR 1173
Synonym
Additol HDMAP
Synonym
Runtecure 1103
Synonym
Omnirad 73
Synonym
2-Methyl-2-hydroxy-1-phenyl-1-propanone
Synonym
IHT-PI 1173
Synonym
Micure HP 8
Synonym
Sarcure 1121
Synonym
SR 1121
Synonym
Darocur 173
Synonym
D 1173
Synonym
Benacure 1173
Synonym
FirstCure HMPP
Synonym
NSC 401744
Synonym
Chivacure 173
Synonym
1-Phenyl-2-methyl-2-hydroxypropanone
Synonym
I 1173
Synonym
2-Benzoyl-2-hydroxypropane
Synonym
α-Hydroxy-α,α-dimethylacetophenone
Synonym
Irgacure 1173
Synonym
DC 1173
Synonym
2-Hydroxy-2-methyl-1-phenylpropane-1-one
Synonym
Darocur 1173
Synonym
EM 1173
Synonym
UV 1173
Synonym
α-Hydroxy-α-methylpropiophenone
Synonym
1-Hydroxy-1-methylethyl phenyl ketone
Synonym
2-Hydroxy-2,2-dimethylacetophenone
Synonym
2-Hydroxy-2-methyl-1-phenylpropanone
Synonym
2-Hydroxy-2-benzoylpropane
Synonym
1-Phenyl-2-hydroxy-2-methyl-1-propanone
Synonym
2-Benzoyl-2-propanol
Synonym
α-Hydroxyisobutyrophenone
Synonym
2-Hydroxy-2-methylpropiophenone
Synonym
2-Hydroxy-2-methyl-1-phenyl-1-propanone
Synonym
Propiophenone, 2-hydroxy-2-methyl-
Synonym
1-Propanone, 2-hydroxy-2-methyl-1-phenyl-
Synonym
Identifiers:
SMILES:
CC(C)(O)C(=O)c1ccccc1
InChI:
InChI=1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,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 | 164.20 g/mol | Legacy Database |
| density | 1.08 g/cm³ | Legacy Database |
| cas-boiling-point | 116-118 °C @ Press: 11 Torr None | Legacy Database |
| cas-canonical-smile | O=C(C=1C=CC=CC1)C(O)(C)C None | Legacy Database |
| cas-density | 1.0775 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=XMLYCEVDHLAQEL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | >186 °C None | Legacy Database |
| cas-name | 2-Hydroxy-2-methyl-1-phenylpropan-1-one None | Legacy Database |
| LogP | 1.6401999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 164.204 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 164.083729624 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 12 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 47.07030000000003 | RDKit |