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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
Lunacure 100
PI 1173
IGM 1173
Photoinitiator 1173D
Darocur 1173D
Gencure 1173
Darocur 1137
Photo 1173
MV 5002
IC 1173
Omnirad 1173
2-Methyl-3-phenyl-3-oxopropan-2-ol
Hydroxy dimethyl acetophenone
API 1173
2-Hydroxy-2-methylphenylpropanone
2-Hydroxy-methylphenylpropan-1-one
JRcure 1173
Doublecure 1173
Boxing 1173
2,2-Dimethyl-2-hydroxyacetophenone
JRCure 1103
Methyl-1-phenylpropan-1-one
HMPP
IRG 1173
AgiSyn 1810
Photoinitiator 1173
1173HMPE
Chemcure 73
2-Hydroxy-2-methyl-1-phenylpropan-1-one
Darocur DR 1173
H 0991
Esacure KL 200
Genocure DHMA
UV 636
IHT-PI PBZ
IHT-PI 6022
Doublecure 173
2-Hydroxy-2-methyl-propylphenone
2-Hydroxy-2-methyl-1-propiophenone
Genocure DMHA
Photocure 1173
Ciba 1173
Runtecure 1173
α,α-Dimethyl-α-hydroxyacetophenone
DAR 1173
Additol HDMAP
Runtecure 1103
Omnirad 73
2-Methyl-2-hydroxy-1-phenyl-1-propanone
IHT-PI 1173
Micure HP 8
Sarcure 1121
SR 1121
Darocur 173
D 1173
Benacure 1173
FirstCure HMPP
NSC 401744
Chivacure 173
1-Phenyl-2-methyl-2-hydroxypropanone
I 1173
2-Benzoyl-2-hydroxypropane
α-Hydroxy-α,α-dimethylacetophenone
Irgacure 1173
DC 1173
2-Hydroxy-2-methyl-1-phenylpropane-1-one
Darocur 1173
EM 1173
UV 1173
α-Hydroxy-α-methylpropiophenone
1-Hydroxy-1-methylethyl phenyl ketone
2-Hydroxy-2,2-dimethylacetophenone
2-Hydroxy-2-methyl-1-phenylpropanone
2-Hydroxy-2-benzoylpropane
1-Phenyl-2-hydroxy-2-methyl-1-propanone
2-Benzoyl-2-propanol
α-Hydroxyisobutyrophenone
2-Hydroxy-2-methylpropiophenone
2-Hydroxy-2-methyl-1-phenyl-1-propanone
Propiophenone, 2-hydroxy-2-methyl-
1-Propanone, 2-hydroxy-2-methyl-1-phenyl-
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 |
