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1-Hydroxycyclohexyl Phenyl Ketone
CAS: 947-19-3 | C13H16O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
947-19-3
Molecular Formula:
C13H16O2
Molecular Weight:
204.26899999999992 g/mol
Names and Synonyms:
1-Hydroxycyclohexyl Phenyl Ketone
Synonym
Methanone, (1-hydroxycyclohexyl)phenyl-
Synonym
Ketone, 1-hydroxycyclohexyl phenyl
Synonym
(1-Hydroxycyclohexyl)phenylmethanone
Synonym
1-Benzoyl-1-hydroxycyclohexane
Synonym
Irgacure G 17-1184
Synonym
1-Benzoylcyclohexanol
Synonym
1-Hydroxycyclohexyl phenyl ketone
Synonym
Irgacure 184
Synonym
α-Hydroxycyclohexyl phenyl ketone
Synonym
α-Hydroxy-α-cyclohexyl phenyl ketone
Synonym
Irgacure 181
Synonym
Irgacure I 184
Synonym
I 184
Synonym
Chivacure 184
Synonym
SarCure SR 1122
Synonym
NSC 401908
Synonym
IRG 184
Synonym
Darocur 184C
Synonym
Runtecure 1104
Synonym
SR 1122
Synonym
1-Hydroxy-1-cyclohexyl phenyl ketone
Synonym
IC 184
Synonym
Irgacure 184D
Synonym
Esacure KS 300
Synonym
KS 300
Synonym
Micure CP 4
Synonym
Irgacure 183
Synonym
IHT-PI 184
Synonym
Additol CPK
Synonym
CPK
Synonym
Luna 200
Synonym
HCPK
Synonym
Photoinitiator 184
Synonym
PI 184
Synonym
Photocure 184
Synonym
Huatai 184
Synonym
Doublecure 184
Synonym
Initiator 1104
Synonym
184D
Synonym
Chemcure 481
Synonym
X-Cure 184
Synonym
Irgacure 189
Synonym
I 189
Synonym
Speedcure 184
Synonym
Suncure 84
Synonym
Irgacure 1104
Synonym
Genocure CPK
Synonym
Omnirad 481
Synonym
Ciba 184
Synonym
JR 184
Synonym
UV 184
Synonym
SB-PI 714
Synonym
JRCure 1104
Synonym
Irgacure 1841
Synonym
Boxing 184
Synonym
Lunacure 200
Synonym
BASF 184
Synonym
JRcure 184
Synonym
Daido UV-Cure 174
Synonym
Omnirad 184
Synonym
MV 5001
Synonym
184S
Synonym
Ryoji 184
Synonym
Gencure 184
Synonym
Darocur 184
Synonym
OR 184
Synonym
IGM 184
Synonym
Omnirad 184D
Synonym
Identifiers:
SMILES:
O=C(c1ccccc1)C1(O)CCCCC1
InChI:
InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2
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 | 204.27 g/mol | Legacy Database |
| cas-boiling-point | 140 °C @ Press: 0.1 Torr None | Legacy Database |
| cas-canonical-smile | O=C(C=1C=CC=CC1)C2(O)CCCCC2 None | Legacy Database |
| cas-inchi | InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2 None | Legacy Database |
| cas-inchi-key | InChIKey=QNODIIQQMGDSEF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 47-49 °C None | Legacy Database |
| cas-name | 1-Hydroxycyclohexyl phenyl ketone None | Legacy Database |
| LogP | 2.5645000000000007 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 204.26899999999992 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 204.115029752 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 15 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 | 58.80730000000003 | RDKit |