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947-19-3

Basic Information
CAS No.: 947-19-3
Name: 1-Hydroxycyclohexyl phenyl ketone
Article Data: 45
Cas Database
Molecular Structure:
Molecular Structure of 947-19-3 (1-Hydroxycyclohexyl phenyl ketone)
Formula: C13H16O2
Molecular Weight: 204.269
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;
EINECS: 213-426-9
Density: 1.141 g/cm3
Melting Point: 47-50 °C(lit.)
Boiling Point: 339 °C at 760 mmHg
Flash Point: 144.2 °C
Solubility: Slightly soluble in water (1108 mg/L at 25°C). Soluble in acetone, butyl acetate, methanol and toluene.
Appearance: White crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36
Safety: 26
Transport Information: N/A
PSA: 37.30000
LogP: 2.56450
Synthetic route
1135-71-3

(1-chlorocyclohexyl)(phenyl)methanone

947-19-3

1-hydroxycyclohexyl phenyl ketone

Conditions
ConditionsYield
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
712-50-5

Cyclohexyl phenyl ketone

947-19-3

1-hydroxycyclohexyl phenyl ketone

Conditions
ConditionsYield
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
ConditionsYield
With sodium In tetrahydrofuran at -5 - 20℃; for 2h; Reagent/catalyst; Inert atmosphere;95%
7500-66-5

(1-bromocyclohexyl)(phenyl)methanone

947-19-3

1-hydroxycyclohexyl phenyl ketone

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With sodium acetate for 2h; Ambient temperature;86%
108-94-1

cyclohexanone

98-07-7

Benzotrichlorid

947-19-3

1-hydroxycyclohexyl phenyl ketone

Conditions
ConditionsYield
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
ConditionsYield
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

PhMgX

PhMgX

947-19-3

1-hydroxycyclohexyl phenyl ketone

Conditions
ConditionsYield
In diethyl ether61%
17040-65-2

1-cyclohexenyl(phenyl)methanone

947-19-3

1-hydroxycyclohexyl phenyl ketone

Conditions
ConditionsYield
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%
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    Quick Details CAS No.: 947-19-3 Other Names: N/A MF: C13H16O2 EINECS No.: 213-426-9 Place of Origin:

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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