1-Hydroxycyclohexyl phenyl ketone supplier

Name
1-Hydroxycyclohexyl phenyl ketone
EINECS 213-426-9
CAS No. 947-19-3
Article Data45
CAS DataBase
Density 1.141 g/cm³
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
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;
PSA 37.30000
LogP 2.56450

Synthetic route

: 1135-71-3
(1-chlorocyclohexyl)(phenyl)methanone

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

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

: 712-50-5
Cyclohexyl phenyl ketone

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

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

Conditions	Yield
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

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

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

Conditions	Yield
With sodium acetate for 2h; Ambient temperature;	86%

: 108-94-1
cyclohexanone

: 98-07-7
Benzotrichlorid

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

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

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

PhMgX: PhMgX

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

Conditions	Yield
In diethyl ether	61%

: 17040-65-2
1-cyclohexenyl(phenyl)methanone

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

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%

: 5908-41-8
benzoyltrimethylsilane

: 108-94-1
cyclohexanone

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran	35%

: 1206-23-1
1-tetrahydropyran-2-yloxy-cyclohexanecarbonitrile

: phenylmagnesium bromide

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 931-97-5
1-hydroxy-1-cyclohexanecarbonitrile

: phenylmagnesium bromide

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 15817-28-4
2-methoxy-2-phenyl-1-oxa-spiro[2.5]octane

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

Conditions	Yield
With hydrogenchloride
Multi-step reaction with 2 steps 1: petroleum ether 2: H2O / methanol View Scheme

: 7500-66-5
(1-bromocyclohexyl)(phenyl)methanone

A: 1135-67-7
1-phenyl-cyclohexanecarboxylic acid

B: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

Conditions	Yield
With sodium hydroxide; toluene
With 1,4-dioxane; silver nitrate

: 1135-71-3
(1-chlorocyclohexyl)(phenyl)methanone

A: 1135-67-7
1-phenyl-cyclohexanecarboxylic acid

B: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

Conditions	Yield
With sodium hydroxide; toluene
With 1,4-dioxane; silver nitrate

: 92499-59-7
α-Hydroxycyclohexyl-phenyl-N-methylimin

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

Conditions	Yield
With hydrogenchloride

: 613-90-1
benzoyl cyanide

: 108-94-1
cyclohexanone

A: 947-19-3
1-hydroxycyclohexyl phenyl ketone

B: 4242-46-0
1-cyanobenzyl benzoate

Conditions

Conditions	Yield
With titanium(III) chloride; potassium carbonate; acetic acid 1) water, 2 h, r.t., 2) t-BuOH, 35 deg C, 4 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 31675-43-1
diethyl 1-phenyl-1-(trimethylsiloxy)methanephosphonate

: 108-94-1
cyclohexanone

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

Conditions	Yield
Yield given. Multistep reaction;

: 843-51-6
1-[(2-chloro-ethoxy)-methoxy-phenyl-methyl]-cyclohexanol

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

Conditions	Yield
With water In methanol

: 591-51-5
phenyllithium

lithium-salt of/the/ 1-hydroxy-cyclohexanecarboxylic acid: lithium-salt of/the/ 1-hydroxy-cyclohexanecarboxylic acid

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 56-23-5
tetrachloromethane

: 60-29-7
diethyl ether

: 1135-71-3
(1-chlorocyclohexyl)(phenyl)methanone

A: 947-19-3
1-hydroxycyclohexyl phenyl ketone

B 1-phenyl-cyclohexane-carboxylic acid-(1): 1-phenyl-cyclohexane-carboxylic acid-(1)

...Expand

: 24731-36-0
1-trimethylsilanyloxycyclohexanecarbonitrile

: 100-59-4
phenylmagnesium chloride

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

Conditions	Yield
In tetrahydrofuran

: 108-94-1
cyclohexanone

1-<trans-2-hydroxy-cyclohexyl>-pyridium iodide: 1-<trans-2-hydroxy-cyclohexyl>-pyridium iodide

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: n-BuLi / tetrahydrofuran 2: tetrahydrofuran View Scheme

: 108-94-1
cyclohexanone

1.1'-dinitro-dicyclohexyl: 1.1'-dinitro-dicyclohexyl

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 94.9 percent / n-BuLi / hexane; tetrahydrofuran / 2 h / Ambient temperature 2: 86.5 percent / diethyl ether / 3 h / Ambient temperature View Scheme

: 108-94-1
cyclohexanone

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1. LDA / 1. THF, cyclohexane, -78 deg C, 30 min, 2a. 30 min, 2b. RT, overnight 2: 86 percent / aq. sodium acetate / 2 h / Ambient temperature View Scheme
Multi-step reaction with 3 steps 1.1: magnesium / tetrahydrofuran / 1 h / 60 °C 1.2: 8 h / Reflux 2.1: dihydrogen peroxide; hydrogen bromide / 1,2-dichloro-ethane / 8 h / 60 °C / Irradiation; Cooling with ice 3.1: water / 1 h / 100 °C 3.2: 6 h / Cooling with ice; Irradiation View Scheme

: 931-97-5
1-hydroxy-1-cyclohexanecarbonitrile

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether; hydrogen chloride View Scheme

: 34877-64-0, 37545-92-9
2-phenyl-1-oxaspiro[2,5]octane

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

Conditions

Conditions	Yield
With oxygen; palladium diacetate; Bathocuproine In water at 100℃; for 48h;

: 1135-72-4
(1-hydroxycyclohexyl)(benzene)methanol

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 674-82-8
4-methyleneoxetan-2-one

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 1373648-45-3
3-acetyl-5,5-pentamethylen-4-phenylfuran-2(5H)-one

Conditions

Conditions	Yield
With triethylamine	98%

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 108-24-7
acetic anhydride

: 4915-84-8
1-benzoylcyclohexyl acetate

Conditions

Conditions	Yield
With pyridine at 20℃; Inert atmosphere;	95%

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 3282-30-2
pivaloyl chloride

: 1196070-17-3
1-benzoylcyclohexyl pivalate

Conditions

Conditions	Yield
With pyridine at 25℃; Inert atmosphere;	93%

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 102729-78-2
1-(α-Amino-benzyl)-cyclohexanol

Conditions

Conditions	Yield
With nickel(II) tetrafluoroborate hexahydrate; ammonia; hydrogen; bis(2-diphenylphosphinoethyl)phenylphosphine In 2,2,2-trifluoroethanol at 120℃; for 24h; chemoselective reaction;	88%

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 124-63-0
methanesulfonyl chloride

: 87456-65-3
1-benzoylcyclohexyl methanesulfonate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;	86%

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

A: 1608-31-7
(cyclohexylidenemethyl)benzene

B: 712-50-5
Cyclohexyl phenyl ketone

Conditions

Conditions	Yield
With acetic acid; zinc at 60℃; for 4h;	A 5.3% B 83.3%
With acetic acid; zinc at 90℃; for 2h;	A 20.3% B 73%

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 116928-25-7
benzo[d]thiazol-2-yltriphenylphosphonium trifluoromethanesulfonate

: (1-(benzo[d]thiazol-2-yloxy)cyclohexyl)(phenyl)methanone

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 0 - 20℃; Inert atmosphere;	83%

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 5704-66-5
pyruvoyl chloride

: 1-benzoylcyclohexyl methyl oxalate

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;	83%

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 150080-78-7
3-Cyclohexyliden-2-(diethoxyphosphoryl)-N,N-diphenyl-2-propenamid

: 2-Cyclohexyliden-4,N,N-triphenyl-1-oxaspiro<4.5>dec-3-en-3-carboxamid

Conditions

Conditions	Yield
With sodium hydride In toluene at 80℃; for 0.75h;	80%

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 17040-65-2
1-cyclohexenyl(phenyl)methanone

Conditions

Conditions	Yield
trifluorormethanesulfonic acid In dichloromethane for 16h; Ambient temperature;	79%

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

A: 17040-65-2
1-cyclohexenyl(phenyl)methanone

B: 1203-67-4
(4aS,9aR)-1,2,3,4,4a,9a-hexahydro-9H-fluoren-9-one

Conditions

Conditions	Yield
With sulfuric acid; hydroquinone In chloroform for 6h; Ambient temperature;	A 71% B 3.8%
With sulfuric acid; hydroquinone In chloroform for 6h; Ambient temperature;	A 71% B 3.8%

: 667-27-6
Ethyl bromodifluoroacetate

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: C17H20F2O4

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium acetate; silver fluoride; triphenylphosphine In hexane at 140℃; for 20h; Inert atmosphere; Sealed tube;	63%

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 140-29-4
phenylacetonitrile

: 3,4-diphenyl-1-oxa-spiro[4,5]dec-3-en-2-one

Conditions

Conditions	Yield
With copper(l) iodide; water; sodium hydroxide In methanol at 80℃; for 24h; Schlenk technique; Inert atmosphere;	62%

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 712-50-5
Cyclohexyl phenyl ketone

Conditions

Conditions	Yield
With potassium acetate; L-proline In dimethyl sulfoxide at 100℃; for 10h; Temperature;	60%
Multi-step reaction with 2 steps 1: triethylamine; dmap / dichloromethane / 0 - 20 °C / Inert atmosphere 2: diphenylsilane; zinc; nickel dichloride; magnesium chloride; 2-(2'-pyridyl)benzimidazole / N,N-dimethyl acetamide / 40 °C / Inert atmosphere; Schlenk technique View Scheme

: 106-38-7
para-bromotoluene

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: ((1R,2R)-1-Hydroxy-2-p-tolyl-cyclohexyl)-phenyl-methanone

Conditions

Conditions	Yield
With palladium diacetate; tri-tert-butyl phosphine; caesium carbonate In o-xylene for 5h; Heating;	59%

: 201230-82-2
carbon monoxide

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 1-cyclopropyl-1,3,3-trimethylurea

: 1-benzoylcyclohexyl 4-(1,3,3-trimethylureido)butanoate

Conditions

Conditions	Yield
With di(rhodium)tetracarbonyl dichloride; tris(pentafluorophenyl)phosphine In 1,2-dichloro-benzene at 130℃; under 760.051 Torr; for 96h; Glovebox;	56%

...Expand

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With oxygen; acetic acid In water at 60℃; under 750.075 Torr; for 12h;	50%
With C59H45BFeN6O3; oxygen In benzene at 20℃; for 0.366667h; Inert atmosphere;	50 %Spectr.

: 947-19-3
1-hydroxycyclohexyl phenyl ketone

: 53913-96-5
tert-butyl 2-(bromomethyl)acrylate

: C21H28O4

Conditions

Conditions	Yield
Stage #1: 1-hydroxycyclohexyl phenyl ketone With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.75h; Williamson Ether Synthesis; Inert atmosphere; Stage #2: tert-butyl 2-(bromomethyl)acrylate In N,N-dimethyl-formamide; mineral oil at 20℃; for 24h; Williamson Ether Synthesis;	40%

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

Product Name

1-Hydroxycyclohexyl phenyl ketone

Synthetic route

1-Hydroxycyclohexyl phenyl ketone Specification

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