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98-86-2

Basic Information
CAS No.: 98-86-2
Name: Acetophenone
Molecular Structure:
Molecular Structure of 98-86-2 (Acetophenone)
Formula: C8H8O
Molecular Weight: 120.15
Synonyms: FEMA No. 2009;RCRA waste number U004;Ketone, methyl phenyl;Ketone, methyl phenyl-;1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H;Ethanone,1-phenyl-;Benzoyl methide;FEMA Number 2009;Acetylbenzol;Hypnone;Hypnon;Acetofenon [Czech];Benzoylmethide;Acetophenon;Phenyl methyl ketone;Acetylbenzene;Benzene, acetyl-;1-Phenyl-1-ethanone;1-Phenylethanone;USAF EK-496;Methyl phenyl ketone;RCRA waste no. U004;Acteophone;Acetophenone , 98%;Acetophenone PG , 99%;
EINECS: 202-708-7
Density: 0.993 g/cm3
Melting Point: 19-20 °C(lit.)
Boiling Point: 202 °C at 760 mmHg
Flash Point: 80.9 °C
Solubility: 5.5 g/L (20 °C) in water
Appearance: clear to light yellow liquid
Hazard Symbols: HarmfulXn,ToxicT,FlammableF
Risk Codes: 22-36-63-43-36/37/38-23/24/25-45-39/23/24/25-11
Safety: 26-36/37-24/25-23-53-45-16-7
Transport Information: UN 1593 6.1/PG 3
PSA: 17.07000
LogP: 1.88920
Synthetic route
98-86-2

acetophenone

Conditions
ConditionsYield
With N,N-dimethylpyrrolidinium formate; dihydrogen peroxide; palladium dichloride In water at 60℃; for 3h; Wacker oxidation;100%
With tert.-butylhydroperoxide; C21H19N5Pd(2+)*2BF4(1-) In decane; acetonitrile at 45℃; for 12h; Kinetics; Wacker Oxidation;100%
With water; oxygen In methanol; dimethyl sulfoxide at 80℃; under 1520.1 Torr; for 20h; Catalytic behavior; Reagent/catalyst; Solvent; Pressure; Wacker Oxidation; Autoclave;99%
618-34-8

1-chlorostyrene

98-86-2

acetophenone

Conditions
ConditionsYield
With iron(III) chloride; air; water; 1,2-dichloro-ethane at 75℃; for 96h; regioselective reaction;100%
With hydrogenchloride
With sulfuric acid at 60℃;
100-41-4

ethylbenzene

98-86-2

acetophenone

Conditions
ConditionsYield
With potassium permanganate; iron(III) chloride In acetone at -78 - 20℃; for 16h;100%
With potassium bromate; cerium(IV) oxide In 1,4-dioxane; water; acetic acid at 95℃; for 1h;100%
With cerium(IV) triflate; water In acetonitrile at 20℃; for 19.5h;99.7%
98-85-1, 13323-81-4

1-Phenylethanol

98-86-2

acetophenone

Conditions
ConditionsYield
With acetone; zirconic acid at 150℃;100%
With silica gel; copper(II) nitrate In tetrachloromethane for 0.25h; Zn(NO3)2;100%
With tetrakis(pyridine)silver dichromate In benzene for 0.5h; Heating;100%
618-36-0

rac-methylbenzylamine

98-86-2

acetophenone

Conditions
ConditionsYield
With 4-phenylnaphthalene-1,2-dione In acetonitrile at 80℃; Temperature; Reagent/catalyst;100%
With iodine; mercury(II) oxide In dichloromethane at 20℃; for 1h; Oxidation;98%
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; laccasefrom Trametes versicolor; oxygen In water at 30℃; pH=4.5; Enzymatic reaction;97%
75-36-5

acetyl chloride

71-43-2

benzene

98-86-2

acetophenone

Conditions
ConditionsYield
With aluminum (III) chloride In dichloromethane at 0 - 20℃; Friedel-Crafts Acylation; Inert atmosphere;100%
With iron(III) oxide at 20℃; for 0.166667h; Friedel Crafts acylation; regioselective reaction;98%
With zinc at 60 - 62℃; for 0.00833333h; Friedel-Crafts acylation; microwave irradiation;95%
536-74-3

phenylacetylene

98-86-2

acetophenone

Conditions
ConditionsYield
With mercuric triflate; water; tetramethylurea In dichloromethane; acetonitrile at 20℃; for 12h;100%
With Au nanoparticles covalently bonded to HS/SO3H functionalized periodic mesoporous organosilica (Et) at 70℃; for 1.5h; neat (no solvent);100%
With water at 59.84℃; for 24h; Ionic liquid;100%
98-83-9

isopropenylbenzene

98-86-2

acetophenone

Conditions
ConditionsYield
With oxygen; 1,4-dimethoxybezene In acetonitrile for 12h; Mechanism; Ambient temperature; Irradiation; further substrates;100%
With dihydrogen peroxide In water at 75℃; for 6h;100%
With 1H-imidazole; sodium periodate; MnCl-TPP-(PEO750)4 In water; acetonitrile at 20℃; for 24h;99%
6331-22-2

2-methyl-2-phenyl-[1,3]dithiane

98-86-2

acetophenone

Conditions
ConditionsYield
With dihydrogen peroxide; iodine; sodium dodecyl-sulfate In water at 20℃; for 0.5h; Micellar solution;100%
With silica gel; copper(II) nitrate In tetrachloromethane for 0.416667h; Ambient temperature;98%
With ammonium persulfate; Montmorillonite K-10 clay for 0.0333333h; microwave irradiation;98%
613-91-2

acetophenone oxime

98-86-2

acetophenone

Conditions
ConditionsYield
With 2,2'-bipyridylchromium peroxide In benzene for 0.25h; Heating;100%
With 2,2'-bipyridylchromium peroxide In benzene for 0.25h; Product distribution; Heating; effect of various chromium(VI) based oxidants;100%
With 1-benzyl-4-aza-1-azoniabiyclo<2.2.2>octane peroxodisulfate In acetonitrile for 0.25h; Heating;100%
13329-40-3

4-Iodoacetophenone

98-86-2

acetophenone

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium fluoride In 2-pentanol at 100℃; for 36h; Inert atmosphere;100%
With triethylamine In toluene at 20℃; for 24h; Inert atmosphere; Irradiation; Sealed tube;83.4%
With tris-(trimethylsilyl)silane In acetonitrile Schlenk technique; Inert atmosphere; Irradiation;80%
4636-16-2

iodoacetophenone

98-86-2

acetophenone

Conditions
ConditionsYield
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; meso-5,10,15,20-tetraphenyl-21-monothiaporphyrin; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 22℃; for 18h; Irradiation;100%
With bismuth(III) chloride; sodium tetrahydroborate In tetrahydrofuran for 4h; Ambient temperature;94.2%
With indium; water for 3h; ultrasound;90%
34713-70-7

2-Phenylpropanal

98-86-2

acetophenone

Conditions
ConditionsYield
With tri-n-butyl-tin hydride; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran for 24h; Ambient temperature;100%
With sodium hydride In diethyl ether at 25℃; for 1h; Temperature; Reagent/catalyst;98%
With pyridine; oxygen; triethylamine; pyridine; compound with copper (II)-nitrate In methanol at 25℃; under 1748 Torr;96.6%
729-43-1

acetophenonazine

98-86-2

acetophenone

Conditions
ConditionsYield
With 2-phenyl-1,2-benzoisoselenazol-3(2H)-one; dihydrogen peroxide In methanol; water at 20℃; for 48h;100%
With 2-phenyl-1,2-benzoisoselenazol-3(2H)-one; dihydrogen peroxide In methanol; water at 65℃; for 2h;100%
With dihydrogen peroxide; 2,2‘-diselenobis(N-phenylbenzamide) In methanol; water at 20℃; for 20h;100%
14856-75-8

1-phenyl-1-trimethylsilyloxyethane

98-86-2

acetophenone

Conditions
ConditionsYield
With benzyltriphenylphosphonium chlorate; aluminium trichloride In acetonitrile for 0.7h; Heating;100%
With nitrogen dioxide at 20℃; for 0.5h;100%
With bismuth(III) chloride; benzyltriphenylphosphonium peroxymonosulfate In dichloromethane for 0.05h; microwave irradiation;99%
769-57-3

α,β,β-trimethylstyrene

98-86-2

acetophenone

Conditions
ConditionsYield
With sodium nitrite In water; acetic acid 1.) 0 deg C 2.) 60 deg C, 0,5 h;100%
4316-35-2

acetophenone dimethyl acetal

98-86-2

acetophenone

Conditions
ConditionsYield
With water; Nafion-H In acetone for 0.5h;100%
With Montmorillonite K10 In dichloromethane for 0.0833333h; Ambient temperature;100%
With water at 80℃; for 2h;100%
4316-37-4

1,1,-diethoxy-1-phenylethane

98-86-2

acetophenone

Conditions
ConditionsYield
With water at 80℃; for 2h;100%
With sodium perborate In acetic acid at 25℃; for 0.5h;86%
perchloric acid In ethanol; water at 25 - 30℃; for 0.416667h;85%
With aluminium(III) iodide In acetonitrile; benzene for 0.166667h; Ambient temperature;86 % Chromat.
24434-16-0

2,5-diphenyl-2,5-hexanediol

A

123-56-8

Succinimide

B

98-86-2

acetophenone

Conditions
ConditionsYield
With N-iodo-succinimide In benzene for 6h; Product distribution; Irradiation; varying reaction time;A 99%
B 100%
4636-16-2

iodoacetophenone

645-96-5

Benzeneselenol

A

1666-13-3

diphenyl diselenide

B

98-86-2

acetophenone

Conditions
ConditionsYield
With potassium carbonate In ethanol for 0.25h; Product distribution; Ambient temperature; other iodomethyl ketones;A 100%
B 100%
94-02-0

ethyl 3-oxo-3-phenylpropionate

98-86-2

acetophenone

Conditions
ConditionsYield
With silver tetrafluoroborate; water In acetic acid at 110℃; for 10h; regioselective reaction;100%
In water; N,N-dimethyl-formamide at 160℃; for 0.05h; microwave irradiation;82%
With bis(cyclopentadienyl)titanium dichloride; isopropylmagnesium bromide In tetrahydrofuran; diethyl ether for 4h; Ambient temperature;63%
With magnesium chloride In dimethyl sulfoxide at 150℃; for 1h; Yield given;
Multi-step reaction with 2 steps
1.1: potassium hydroxide / water / 24.5 h / 20 °C
1.2: 0 °C
2.1: dichloromethane / 9 h / 25 °C
View Scheme
88920-01-8

2,3,3-trimethyl-1-phenacylindoline

A

1640-39-7

2,3,3-trimethylindoleniune

B

98-86-2

acetophenone

Conditions
ConditionsYield
In diethyl ether for 2.75h; Irradiation;A 100%
B n/a
585-71-7, 38661-81-3

(1-bromoethyl)benzne

98-86-2

acetophenone

Conditions
ConditionsYield
With water; sodium hydroxide at 20℃; for 0.0833333h; Microwave irradiation;100%
With dihydrogen peroxide In ethanol for 1h; Heating;91%
With potassium chromate In dimethyl sulfoxide at 120℃; for 1h;90%
532-27-4

1-chloroacetophenone

98-86-2

acetophenone

Conditions
ConditionsYield
With AcrH2; perchloric acid; tris(2,2’-bipyridine)ruthenium(II) In acetonitrile at 298℃; for 8h; Quantum yield; Mechanism; Irradiation; Electron-Transfer Rate Constants ;;100%
With AcrH2; perchloric acid; tris(2,2’-bipyridine)ruthenium(II) In acetonitrile at 298℃; for 8h; Irradiation;100%
With hydrogen iodide for 2h; Ambient temperature;100%
583-11-9, 59130-82-4

N-(1-phenylethylidene)phenylhydrazine

98-86-2

acetophenone

Conditions
ConditionsYield
With copper(II) sulfate In tetrahydrofuran; methanol; water for 2.5h; Heating;100%
With benzyltriphenylphosphonium dichromate In acetonitrile for 0.25h; Oxidation; Heating;98%
With benzyltriphenylphosphonium dichromate; silica gel for 0.0666667h;98%
70-11-1

α-bromoacetophenone

98-86-2

acetophenone

Conditions
ConditionsYield
With AcrH2; perchloric acid; tris(2,2’-bipyridine)ruthenium(II) In acetonitrile at 298℃; for 7h; Irradiation;100%
With AcrH2; perchloric acid; tris(2,2’-bipyridine)ruthenium(II) In acetonitrile at 298℃; for 7h; Quantum yield; Mechanism; Irradiation; Electron-Transfer Rate Constants ; other conc. of HClO4;100%
With AcrD2; perchloric acid; tris(2,2’-bipyridine)ruthenium(II) In acetonitrile at 298℃; for 8h; Quantum yield; Irradiation;100%
90144-64-2

cis-Octadecen-9-saeurephenacylester

A

112-80-1

cis-Octadecenoic acid

B

98-86-2

acetophenone

Conditions
ConditionsYield
With N,N,N',N'-tetramethyl-o-phenylenediamine In acetonitrile for 2h; Irradiation;A 100%
B n/a
117356-19-1

mandelic acid-phenacyl ester

B

98-86-2

acetophenone

Conditions
ConditionsYield
With N,N-dimethyl-aniline In acetonitrile for 2h; Irradiation;A 100%
B n/a
132589-74-3

phenacyl 2-methoxyphenylacetate

A

93-25-4

2-methoxyphenylacetic acid

B

98-86-2

acetophenone

Conditions
ConditionsYield
With N,N,N',N'-tetramethyl-o-phenylenediamine In acetonitrile for 2h; Irradiation;A 100%
B n/a
83316-95-4

2-oxo-2-phenylethyl 2-(tert-butoxycarbonylamino)acetate

A

4530-20-5

BOC-glycine

B

98-86-2

acetophenone

Conditions
ConditionsYield
With N,N,N',N'-tetramethyl-o-phenylenediamine In acetonitrile for 2h; Irradiation;A 100%
B n/a
100-52-7

benzaldehyde

98-86-2

acetophenone

94-41-7

benzalacetophenone

Conditions
ConditionsYield
With sodium hydroxide In methanol Claisen-Schmidt Condensation; Reflux;100%
With sulfated TiO2 (5 wtpercent sulfate) for 0.0166667h; Microwave irradiation; Neat (no solvent);99.2%
With sulfated TiO2-P25 (Degussa titania) for 0.0166667h; Microwave irradiation; Neat (no solvent);99%
100-52-7

benzaldehyde

98-86-2

acetophenone

614-47-1

1,3-diphenyl-propen-3-one

Conditions
ConditionsYield
With sodium hydroxide In methanol at 20℃; for 20h; Aldol Condensation;100%
With sodium hydroxide In ethanol at 20℃; for 48h; Claisen-Schmidt Condensation;99%
With sodium hydroxide In ethanol at 20℃; for 48h;99%
540-63-6

ethane-1,2-dithiol

98-86-2

acetophenone

5769-02-8

2-methyl-2-phenyl[1,3]dithiolane

Conditions
ConditionsYield
With perchloric acid; silica gel at 25 - 30℃; for 5h;100%
With toluene-4-sulfonic acid In benzene Heating;99%
With cobalt(II) bromide In dichloromethane for 1.25h; Ambient temperature;99%
96-32-2

bromoacetic acid methyl ester

98-86-2

acetophenone

91970-87-5

(rac)-methyl 3-hydroxy-3-phenylbutanoate

Conditions
ConditionsYield
With iodine; zinc In diethyl ether; benzene for 3h; Heating;100%
With samarium diiodide; mischmetall In tetrahydrofuran at 20℃; for 3.5h; Reformatsky reaction;54%
With zinc; benzene
Stage #1: acetophenone With cerium(III) chloride heptahydrate; zinc In tetrahydrofuran at 0℃; for 0.166667h; Inert atmosphere;
Stage #2: bromoacetic acid methyl ester In tetrahydrofuran at 0 - 20℃; Inert atmosphere;
57-14-7

1,1-dimethylhydrazine

98-86-2

acetophenone

28541-43-7

acetophenone 1,1-dimethylhydrazone

Conditions
ConditionsYield
With trifluoroacetic acid In benzene Reflux; Dean-Stark;100%
With acetic acid In methanol Reflux;60%
In methanol at 20℃;31%
106-95-6

allyl bromide

98-86-2

acetophenone

4743-74-2

2-phenylpent-4-en-2-ol

Conditions
ConditionsYield
With ammonium acetate; zinc In tetrahydrofuran at 0℃; for 0.0166667h; Barbier reaction;100%
With ammonium chloride; zinc In tetrahydrofuran; water at 20℃; for 0.166667h; sonication;99%
With 2,4,6-trimethyl-pyridine; chloro-trimethyl-silane; bis(cyclopentadienyl)titanium (III) chloride In tetrahydrofuran at 20℃; for 6h; Barbier type allylation; Inert atmosphere;99%
104-55-2

3-phenyl-propenal

98-86-2

acetophenone

Conditions
ConditionsYield
Stage #1: acetophenone With sodium hydroxide In ethanol; water at 0 - 5℃;
Stage #2: 3-phenyl-propenal In ethanol; water
100%
With poly(N-vinylimidazole) In neat (no solvent) at 20℃; for 0.666667h; Aldol Condensation; Sonication; Green chemistry;92%
With sodium hydroxide In ethanol; water90%
589-18-4

4-Methylbenzyl alcohol

98-86-2

acetophenone

1669-50-7

1-phenyl-3-(4-tolyl)propan-1-one

Conditions
ConditionsYield
With titanium(IV) oxide; potassium hydroxide In toluene at 100℃; for 10h; Sealed tube; Irradiation;100%
With potassium phosphate tribasic trihydrate; C39H32Cl2N5PRu In tert-Amyl alcohol at 120℃; for 4h; Inert atmosphere; Schlenk technique;94%
With dimanganese decacarbonyl; sodium hydroxide In toluene at 110℃; for 2h; Inert atmosphere; Glovebox; Sealed tube;94%
151-50-8

potassium cyanide

98-86-2

acetophenone

20102-12-9

2-hydroxy-2-phenylpropionitrile

Conditions
ConditionsYield
Stage #1: potassium cyanide; acetophenone With 18-crown-6 ether In dichloromethane at 20℃; for 4h;
Stage #2: With hydrogenchloride In tetrahydrofuran; dichloromethane at 0 - 20℃; for 2h;
100%
Stage #1: potassium cyanide; acetophenone With tetrachlorosilane In acetonitrile at 60 - 70℃; for 5h;
Stage #2: With sodium hydrogencarbonate In water; acetonitrile Further stages.;
82%
With hydrogenchloride
98-86-2

acetophenone

873-76-7

para-Chlorobenzyl alcohol

5739-39-9

3-(4-chlorophenyl)-1-phenylpropan-1-one

Conditions
ConditionsYield
With titanium(IV) oxide; potassium hydroxide In toluene at 100℃; for 10h; Sealed tube; Irradiation;100%
With C27H24Cl3F6IrN2; potassium hydroxide In toluene at 130℃; for 2h;94%
With C16H14IrN2O3; caesium carbonate In tert-Amyl alcohol for 6h; Reflux;91%
98-86-2

acetophenone

74-89-5

methylamine

6907-71-7

N-(1-phenylethylidene)methanamine

Conditions
ConditionsYield
In ethanol at 20℃; for 48h; Molecular sieve; Inert atmosphere;100%
In ethanol at 20℃; for 48h; Molecular sieve; Inert atmosphere;100%
With triethylamine In ethanol for 1h; Molecular sieve;97%
98-86-2

acetophenone

60-24-2

2-hydroxyethanethiol

5684-32-2

2-methyl-2-phenyl-[1,3]oxathiolane

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In diethyl ether for 3h; Heating;100%
With tantalum pentachloride In dichloromethane at 20℃; for 1h;93%
With scandium tris(trifluoromethanesulfonate) In dichloromethane at 20℃; for 10h;90%
98-86-2

acetophenone

109-77-3

malononitrile

5447-87-0

2-(1-phenylethylidene)propanedinitrile

Conditions
ConditionsYield
With ethylenediamine-modified poly(vinyl chloride) at 20℃; for 0.116667h; Solvent; Knoevenagel Condensation; Green chemistry;100%
With third generation polystyrene supported poly(amidoamine) dendrimer In ethanol at 50℃; for 0.5h; Knoevenagel condensation;98%
With MIL-53(Fe) metal organic framework encapsulated on silica-coated nickel ferrite magnetic nanoparticles In ethanol at 20℃; for 2h; Knoevenagel Condensation;95%
98-86-2

acetophenone

4114-31-2

ethylhydrazine carboxylate

25445-76-5

N-ethoxycarbonyl-N'-(1-phenyl-ethylidene)-hydrazine

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene Heating;100%
With toluene-4-sulfonic acid In benzene for 4h; Heating;100%
100%
98-86-2

acetophenone

6921-34-2

benzylmagnesium chloride

5342-87-0

1,2-diphenylpropane-2-ol

Conditions
ConditionsYield
In dichloromethane at 0 - 20℃;100%
98-86-2

acetophenone

149-73-5

trimethyl orthoformate

4316-35-2

acetophenone dimethyl acetal

Conditions
ConditionsYield
With toluene-4-sulfonic acid In methanol Heating;100%
With lithium tetrafluoroborate In methanol for 5h; Heating;99%
With cerium triflate In methanol at 20℃; for 0.5h;98%
98-86-2

acetophenone

613-91-2

acetophenone oxime

Conditions
ConditionsYield
With acetic acid; acetone oxime at 125℃; for 2h;100%
With hydroxylamine hydrochloride100%
With hydroxylamine hydrochloride In acetonitrile at 70 - 110℃; for 15h; Solvent; Temperature; Time; chemoselective reaction;100%
98-86-2

acetophenone

1636-34-6

2,3-diphenyl-2,3-butanediol

Conditions
ConditionsYield
With naphthalene; lithium; manganese(ll) chloride In tetrahydrofuran at 20℃; for 20h;100%
With tris(4,4'-dimethyl-2,2'bipyridine)ruthenium(II) ion; ascorbate In water for 3h; pH=12.7; Irradiation;100%
With samarium In acetonitrile at 20℃; for 0.5h;99%
98-86-2

acetophenone

100-41-4

ethylbenzene

Conditions
ConditionsYield
With hydrogen at 80℃; under 37503.8 Torr; for 0.5h; Autoclave; chemoselective reaction;100%
With hydrogen In ethanol at 39.84℃; under 760.051 Torr; for 5h;100%
With Pd/C; hydrogen In chloroform at 20℃; under 760.051 Torr; for 8h; Catalytic behavior;100%
98-86-2

acetophenone

98-85-1, 13323-81-4

1-Phenylethanol

Conditions
ConditionsYield
palladium on activated charcoal at 20℃; electrohydrogenation in 1 N aqeous-alcoholic NaOH;100%
With potassium hydroxide; BF4; isopropyl alcohol at 65℃; for 24h; Product distribution; variation of catalyst and reaction parameters; also with chiral complex catalyst;100%
With Triethoxysilane; cesium fluoride at 25℃; for 0.016h;100%
98-86-2

acetophenone

1445-91-6

(S)-1-phenylethanol

Conditions
ConditionsYield
With carrot (Daucus carota, root); chloramphenicol In ethanol; water at 25℃; for 72h;100%
With Daucus carota root cells; chloramphenicol In water; dimethyl sulfoxide at 25℃; for 24h;100%
With borane-dimethyl sulfide complex; methyl 2-(5-chloro-2-hydroxybenzylamino)-3-methylbutanoate In tetrahydrofuran at 65℃; optical yield given as %ee; enantioselective reaction;100%
98-86-2

acetophenone

17537-31-4

Acetophenone-methyl-d3

Conditions
ConditionsYield
With 4 A molecular sieve; water-d2 at 180℃; under 9000.72 Torr; for 0.5h; microwave irradiation;100%
With pyrrolidine; water-d2 In 1,4-dioxane at 20℃; for 12h; Reagent/catalyst; Solvent;96%
With water-d2; potassium carbonate In 1,4-dioxane for 48h; Heating;93%
98-86-2

acetophenone

1193-81-3

rac-1-cyclohexylethanol

Conditions
ConditionsYield
With hydrogen In water at 100℃; under 15001.5 Torr; for 0.333333h;100%
With ruthenium nanoparticles at 120℃; under 90009 Torr; for 2h; Ionic liquid; Autoclave;99%
With ruthenium; hydrogen In water at 30℃; under 22801.5 Torr; for 12h; Autoclave;94%
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  • Acetophenone - pharmaceutical intermediate CAS No.:  98-86-2

  • Casno:

    98-86-2

    Acetophenone - pharmaceutical intermediate CAS No.: 98-86-2

    Min.Order: 1 Kilogram

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    Product name: Acetophenone Chemical formula: C8H8O Molecular weight: 120.15 CAS RN: 98-86-2 EINECS RN: 202-708-7 Melting point: 19.6℃ Boiling point: 202 ° C Water solubility: 5.5 g / L (20 ° C) Density: 1.0266 Appearance: tran

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  • Acetophenone,98-86-2

  • Casno:

    98-86-2

    Acetophenone,98-86-2

    Min.Order: 0 Metric Ton

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  • Acetophenone

  • Casno:

    98-86-2

    Acetophenone

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

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    Tel:18369939125

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Specification

The Acetophenone, with the CAS registry number 98-86-2, is also known as alpha-Acetophenone;Methyl Phenyl Ketone;Phenyl methyl ketone.It belongs to the product categories of Pharmaceutical Intermediates.Its EINECS number is 202-708-7. This chemical's molecular formula is C8H8O and molecular weight is 120.15. What's more,Its systematic name is Ethanone,1-phenyl-.The Acetophenone is Stable,Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Combustible.Acetophenone is used as precursor to resins and styrene. It also is used in pharmaceutical and related areas. Acetophenone is a raw material for the synthesis of some pharmaceuticals. Acetophenone is used to create fragrances that resemble almond, cherry, honeysuckle, jasmine, and strawberry.

Physical properties about Acetophenone are: (1)ACD/LogP: 1.674; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 11.02; (6)ACD/BCF (pH 7.4): 11.02; (7)ACD/KOC (pH 5.5): 193.87; (8)ACD/KOC (pH 7.4): 193.87; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.512; (13)Molar Refractivity: 36.281 cm3; (14)Molar Volume: 120.964 cm3; (15)Surface Tension: 34.1689987182617 dyne/cm; (16)Density: 0.993 g/cm3; (17)Flash Point: 80.943 °C; (18)Enthalpy of Vaporization: 43.821 kJ/mol; (19)Boiling Point: 201.999 °C at 760 mmHg; (20)Vapour Pressure: 0.29899999499321 mmHg at 25°C.

When you are using Acetophenone, please be cautious about it as the following:(1)Harmful Toxic  Highly Flammable; (2)Harmful if swallowed; (3)Highly Flammable; (4)Irritating to the eyes; (5)May cause sensitization by skin contact; (6)Possible risk of harm to the unborn child; (7)Toxic by inhalation, in contact with skin and if swallowed ; (8)Irritating to eyes, respiratory system and skin; (9)Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed; (10)Keep container tightly closed; (11)Keep away from sources of ignition - No smoking ; (12)Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); (13)In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); (14)Avoid exposure - obtain special instruction before use; (15)Avoid contact with skin and eyes; (16)Wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES:CC(=O)c1ccccc1;
(2)Std. InChI:InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 ;
(3)Std. InChIKey:KWOLFJPFCHCOCG-UHFFFAOYSA-N.

The toxicity data of Acetophenone as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 20mL/kg (20mL/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.
mammal (species unspecified) LC50 inhalation 1200mg/m3 (1200mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified) LD50 oral 2700mg/kg (2700mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 740mg/kg (740mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(8), Pg. 53, 1982.
mouse LDLo subcutaneous 330mg/kg (330mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) "Pharmakologische Prufung von Analgetika, Dissertation," Herrlen, G., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1933Vol. -, Pg. -, 1933.
rabbit LD50 skin 15900uL/kg (15.9mL/kg)   Union Carbide Data Sheet. Vol. 12/27/1971,
rat LC inhalation > 210ppm/8H (210ppm)   Union Carbide Data Sheet. Vol. 12/27/1971,
rat LD50 oral 815mg/kg (815mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(8), Pg. 53, 1982.