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Cas Database |
| Name |
1-Hydroxycyclohexyl phenyl ketone |
EINECS | 213-426-9 |
| CAS No. | 947-19-3 | Density | 1.141 g/cm3 |
| PSA | 37.30000 | LogP | 2.56450 |
| Solubility | Slightly soluble in water (1108 mg/L at 25°C). Soluble in acetone, butyl acetate, methanol and toluene. | Melting Point |
47-50 °C(lit.) |
| Formula | C13H16O2 | Boiling Point | 339 °C at 760 mmHg |
| Molecular Weight | 204.269 | Flash Point | 144.2 °C |
| Transport Information | N/A | Appearance | White crystalline powder |
| Safety | 26 | Risk Codes | 36 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Runtecure 1104;SR1122;SarCure SR 1122;a-Hydroxy-a-cyclohexylphenyl ketone;a-Hydroxycyclohexylphenyl ketone;Ketone,1-hydroxycyclohexyl phenyl (6CI,7CI,8CI);(1-Hydroxycyclohexyl)phenylmethanone;1-Benzoyl-1-hydroxycyclohexane;1-Benzoylcyclohexanol;1-Hydroxy-1-cyclohexylphenyl ketone;Additol CPK;CPK;Chivacure184;Darocur 184C;Esacure KS 300;HCPK;I 184;IC 184;IHT-PI 184;IRG 184;Irgacure 181;Irgacure 183;Irgacure 184;Irgacure 184D;Irgacure G 17-1184;Irgacure I 184;KS 300;Luna 200;Micure CP 4;NSC 401908; |
Article Data | 45 |
1-Hydroxycyclohexyl phenyl ketone Synthetic route
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; sodium hydroxide In water at 90℃; for 4.5h; Reagent/catalyst; | 99% |
| With tetra(n-butyl)ammonium hydroxide In water; 1,2-dichloro-ethane at 35℃; for 1.5h; Solvent; Temperature; Reagent/catalyst; | 93% |
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| With oxygen; caesium carbonate; triethyl phosphite In dimethyl sulfoxide at 25℃; under 760.051 Torr; for 72h; Schlenk technique; | 96% |
| With tetrabutylammomium bromide; sodium hydroxide In tetrachloromethane at 80 - 90℃; for 12h; | 90.2% |
| With di-tert-butyl peroxide In dichloromethane at 50℃; Temperature; Sonication; | 86.62% |
- 931-97-5
1-hydroxy-1-cyclohexanecarbonitrile
- 108-90-7
chlorobenzene
- 947-19-3
1-hydroxycyclohexyl phenyl ketone
| Conditions | Yield |
|---|---|
| With sodium In tetrahydrofuran at -5 - 20℃; for 2h; Reagent/catalyst; Inert atmosphere; | 95% |
| Conditions | Yield |
|---|---|
| With tetra(n-butyl)ammonium hydroxide In water; 1,2-dichloro-ethane at 35℃; for 1.5h; | 90% |
| With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride at 80℃; for 1h; | 59% |
| Stage #1: (1-bromocyclohexyl)(phenyl)methanone With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In water at 80℃; for 1h; Stage #2: With hydrogenchloride In water pH=3; | 59% |
| Multi-step reaction with 2 steps 1: methanol. 2: aqueous HCl View Scheme | |
| Multi-step reaction with 2 steps 2: aq. HCl View Scheme |
- 24731-36-0
1-trimethylsilanyloxycyclohexanecarbonitrile
- 100-58-3
phenylmagnesium bromide
- 947-19-3
1-hydroxycyclohexyl phenyl ketone
| Conditions | Yield |
|---|---|
| In diethyl ether for 3h; Ambient temperature; | 86.5% |
- 56345-98-3
α-(trimethylsiloxy)-1-cyclohexyl phenyl ketone
- 947-19-3
1-hydroxycyclohexyl phenyl ketone
| Conditions | Yield |
|---|---|
| With sodium acetate for 2h; Ambient temperature; | 86% |
| Conditions | Yield |
|---|---|
| With magnesium In N,N-dimethyl-formamide at -20 - -10℃; for 2h; Inert atmosphere; | 86% |
- 801163-54-2
1-(α-Bromobenzyl)cyclohexan-1-ol
- 947-19-3
1-hydroxycyclohexyl phenyl ketone
| Conditions | Yield |
|---|---|
| Stage #1: 1-(α-Bromobenzyl)cyclohexan-1-ol With water at 100℃; for 1h; Stage #2: With dihydrogen peroxide for 6h; Cooling with ice; Irradiation; | 65% |
- 24731-36-0
1-trimethylsilanyloxycyclohexanecarbonitrile
- 947-19-3
1-hydroxycyclohexyl phenyl ketone
| Conditions | Yield |
|---|---|
| In diethyl ether | 61% |
- 17040-65-2
1-cyclohexenyl(phenyl)methanone
- 947-19-3
1-hydroxycyclohexyl phenyl ketone
| Conditions | Yield |
|---|---|
| Stage #1: 1-cyclohexenyl(phenyl)methanone With phenylsilane; oxygen; isopropyl alcohol; Mn(dpm)3 In 1,2-dichloro-ethane at 0 - 25℃; Stage #2: With triethyl phosphite In 1,2-dichloro-ethane | 50% |
1-Hydroxycyclohexyl phenyl ketone Specification
The IUPAC name of this chemical is (1-hydroxycyclohexyl)-phenylmethanone. With the CAS registry number 947-19-3, it is also named as Methanone, (1-hydroxycyclohexyl)phenyl-. The product's categories are industrial / fine chemicals; functional materials; photopolymerization initiators; acetophenone; organic photoinitiators; polymerization initiators. The other registry numbers are 127546-04-7, 150080-97-0, 191113-92-5 and 97396-91-3. It is white crystalline powder which is stable under normal temperature and pressure. Additionally, 1-Hydroxycyclohexyl phenyl ketone should be store in a cool dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 35.62; (6)ACD/BCF (pH 7.4): 35.62; (7)ACD/KOC (pH 5.5): 449.08; (8)ACD/KOC (pH 7.4): 449.08; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.571; (13)Molar Refractivity: 58.81 cm3; (14)Molar Volume: 178.8 cm3; (15)Polarizability: 23.31×10-24 cm3; (16)Surface Tension: 48 dyne/cm; (17)Enthalpy of Vaporization: 61.47 kJ/mol; (18)Vapour Pressure: 3.68E-05 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 204.11503; (21)MonoIsotopic Mass: 204.11503; (22)Topological Polar Surface Area: 37.3; (23)Heavy Atom Count: 15.
Uses of 1-Hydroxycyclohexyl phenyl ketone: It is used as high efficient UV-curable initiator and non-yellowing photoinitiator. And it is also used as UV curable coatings and inks.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear chemical safety goggles, compatible chemical-resistant gloves and respirator
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(c1ccccc1)C2(O)CCCCC2
2. InChI:InChI=1/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
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