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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
Methanone, (1-hydroxycyclohexyl)phenyl-
Ketone, 1-hydroxycyclohexyl phenyl
(1-Hydroxycyclohexyl)phenylmethanone
1-Benzoyl-1-hydroxycyclohexane
Irgacure G 17-1184
1-Benzoylcyclohexanol
1-Hydroxycyclohexyl phenyl ketone
Irgacure 184
α-Hydroxycyclohexyl phenyl ketone
α-Hydroxy-α-cyclohexyl phenyl ketone
Irgacure 181
Irgacure I 184
I 184
Chivacure 184
SarCure SR 1122
NSC 401908
IRG 184
Darocur 184C
Runtecure 1104
SR 1122
1-Hydroxy-1-cyclohexyl phenyl ketone
IC 184
Irgacure 184D
Esacure KS 300
KS 300
Micure CP 4
Irgacure 183
IHT-PI 184
Additol CPK
CPK
Luna 200
HCPK
Photoinitiator 184
PI 184
Photocure 184
Huatai 184
Doublecure 184
Initiator 1104
184D
Chemcure 481
X-Cure 184
Irgacure 189
I 189
Speedcure 184
Suncure 84
Irgacure 1104
Genocure CPK
Omnirad 481
Ciba 184
JR 184
UV 184
SB-PI 714
JRCure 1104
Irgacure 1841
Boxing 184
Lunacure 200
BASF 184
JRcure 184
Daido UV-Cure 174
Omnirad 184
MV 5001
184S
Ryoji 184
Gencure 184
Darocur 184
OR 184
IGM 184
Omnirad 184D
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 |
