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7473-98-5

Basic Information
CAS No.: 7473-98-5
Name: 2-Hydroxy-2-methylpropiophenone
Article Data: 86
Cas Database
Molecular Structure:
Molecular Structure of 7473-98-5 (2-Hydroxy-2-methylpropiophenone)
Formula: C10H12O2
Molecular Weight: 164.204
Synonyms: IHT-PI 1173;Irgacure 1173;Runtecure1103;Runtecure 1173;SR 1121;Sarcure 1121;UV 1173;a,a-Dimethyl-a-hydroxyacetophenone;Propiophenone,2-hydroxy-2-methyl- (6CI,7CI,8CI);1-Hydroxy-1-methylethyl phenyl ketone;1-Phenyl-2-hydroxy-2-methyl-1-propanone;2-Hydroxy-2,2-dimethylacetophenone;2-Hydroxy-2-benzoylpropane;2-Hydroxy-2-methyl-1-phenylpropane-1-one;Additol HDMAP;Benacure 1173;Chivacure 173;Ciba 1173;DC1173;Darocur 1173;EM 1173;
EINECS: 231-272-0
Density: 1.083 g/cm3
Melting Point: 4 °C
Boiling Point: 260.8 °C at 760 mmHg
Flash Point: 108.2 °C
Solubility: N/A
Appearance: clear to pale yellow liquid
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 23-36/37/39
Transport Information: UN 3082
PSA: 37.30000
LogP: 1.64020
Synthetic route
39158-85-5

2-methyl-1-phenyl-1-trimethylsiloxy-1-propene

7473-98-5

2-hydroxy-2-methylpropiophenone

Conditions
ConditionsYield
With oxygen; {[Cu(4,4'bipyridine)(BF4)2(H2O)2](4,4'bipyridine)}n/NH2-MNB In ethanol at 20℃; under 760.051 Torr; for 72h;99%
Stage #1: 2-methyl-1-phenyl-1-trimethylsiloxy-1-propene With oxygen; [Cu(bpy)(BF4)2(H2O)2(bpy)]n In ethanol; water at 0℃; under 760 Torr; for 24h;
Stage #2: With triethyl phosphite In ethanol; water
79%
With tris(dimethylamino)sulfonium trimethylsilyldifluoride; oxygen; triphenylphosphine In tetrahydrofuran at 0 - 5℃; for 2h;69%
With 3-(4-nitrophenyl)-2-(phenylsulfonyl)-1,2-oxaziridine; tetrabutyl ammonium fluoride 1.) CHCl3, 60 deg C, 1 h, 2.) THF; Yield given. Multistep reaction;
55418-35-4

2-Methyl-1-phenyl-2-trimethylsilanyloxy-propan-1-one

7473-98-5

2-hydroxy-2-methylpropiophenone

Conditions
ConditionsYield
With trifluoroacetic acid In methanol for 2h;99%
7473-99-6

α-chloroisobutyrophenone

7473-98-5

2-hydroxy-2-methylpropiophenone

Conditions
ConditionsYield
With sodium hydrogencarbonate for 72h; Ambient temperature;98%
With sodium hydroxide In water94.8%
With diethyl methylmalonate anion In dimethyl sulfoxide Irradiation;62%
611-70-1

phenyl isopropyl ketone

7473-98-5

2-hydroxy-2-methylpropiophenone

Conditions
ConditionsYield
With di-tert-butyl peroxide In dichloromethane at 35℃; Temperature; Sonication;92.36%
With oxygen; sodium hydroxide; sodium sulfite In ethanol at 15℃; for 6h;91.13%
With oxygen; caesium carbonate; triethyl phosphite In dimethyl sulfoxide at 25℃; under 760.051 Torr; for 24h; Reagent/catalyst; Solvent; Schlenk technique;90%
20907-13-5

2-methyl-1-phenylpropane-1,2-diol

7473-98-5

2-hydroxy-2-methylpropiophenone

Conditions
ConditionsYield
With sodium hypochlorite; potassium bromide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In water; toluene at 0 - 5℃; for 1.16667h;87%
With tert.-butylhydroperoxide; tetrabutylammomium bromide In decane; benzene at 40℃; for 24h; Sealed tube; chemoselective reaction;83%
With bromine In dichloromethane at 20℃; Reagent/catalyst; Large scale;1562 g
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In acetonitrile at 80℃; for 1h;
100-86-7

2-Methyl-1-phenyl-2-propanol

7473-98-5

2-hydroxy-2-methylpropiophenone

Conditions
ConditionsYield
With hydrogen bromide; dihydrogen peroxide In 1,2-dichloro-ethane at 60℃; for 12h; Irradiation;85%
Multi-step reaction with 2 steps
1.1: dihydrogen peroxide; hydrogen bromide / 1,2-dichloro-ethane / 8 h / 0 °C / Irradiation
2.1: water / 1 h / 100 °C
2.2: 6 h / Cooling with ice; Irradiation
View Scheme
67-68-5

dimethyl sulfoxide

611-70-1

phenyl isopropyl ketone

7473-98-5

2-hydroxy-2-methylpropiophenone

Conditions
ConditionsYield
With dipotassium peroxodisulfate; iodine at 120℃; for 8h;85%
With dipotassium peroxodisulfate; iodine at 120℃; for 8h;85%
1603-79-8

phenylglyoxylic acid ethyl ester

75-16-1

methylmagnesium bromide

7473-98-5

2-hydroxy-2-methylpropiophenone

Conditions
ConditionsYield
Stage #1: phenylglyoxylic acid ethyl ester With n-butyllithium; trimethylaluminum; N,O-dimethylhydroxylamine*hydrochloride In tetrahydrofuran; hexane at 0 - 20℃; for 2h;
Stage #2: methylmagnesium bromide In tetrahydrofuran; diethyl ether; hexane at 0 - 20℃; for 0.583333h;
84%
21020-19-9, 70412-41-8

1-bromo-2-methyl-1-phenylpropan-2-ol

7473-98-5

2-hydroxy-2-methylpropiophenone

Conditions
ConditionsYield
Stage #1: 1-bromo-2-methyl-1-phenylpropan-2-ol With water at 100℃; for 1h;
Stage #2: With dihydrogen peroxide for 6h; Cooling with ice; Irradiation;
82%
75-86-5

2-hydroxy-2-methylpropanenitrile

108-90-7

chlorobenzene

7473-98-5

2-hydroxy-2-methylpropiophenone

Conditions
ConditionsYield
Stage #1: 2-hydroxy-2-methylpropanenitrile With 3,4-dihydro-2H-pyran In tetrahydrofuran at 20℃; for 1h; Inert atmosphere;
Stage #2: chlorobenzene With magnesium In tetrahydrofuran; diethyl ether at 20 - 70℃; for 2h; Cooling with ice;
82%
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Specification

 The 2-Hydroxy-2-methylpropiophenone, with the CAS registry number 7473-98-5,is also known as IHT-PI 1173; UV 1173. It belongs to the product categories of Industrial/Fine Chemicals;Additives for Plastic;Functional Materials.Its EINECS number is 231-272-0. This chemical's molecular formula is C10H12O2 and molecular weight is 164.20. What's more,Its systematic name is 2-Hydroxy-2-methylpropiophenone.It is harmful if swallowed .When you use it ,wear suitable protective clothing, gloves and eye/face protection and do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).

Physical properties about 2-Hydroxy-2-methylpropiophenone are:
(1)ACD/LogP:  1.485; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  1.49; (4)ACD/LogD (pH 7.4):  1.49; (5)ACD/BCF (pH 5.5):  7.92; (6)ACD/BCF (pH 7.4):  7.92; (7)ACD/KOC (pH 5.5):  153.12; (8)ACD/KOC (pH 7.4):  153.12; (9)#H bond acceptors:  2; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  3; (12)Index of Refraction:  1.533; (13)Molar Refractivity:  47.047 cm3; (14)Molar Volume:  151.532 cm3; (15)Surface Tension:  41.1749992370605 dyne/cm; (16)Density:  1.084 g/cm3; (17)Flash Point:  108.157 °C; (18)Enthalpy of Vaporization:  52.667 kJ/mol; (19)Boiling Point:  260.795 °C at 760 mmHg; (20)Vapour Pressure:  0.00600000005215406 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(c1ccccc1)C(O)(C)C;
(2)Std. InChI:InChI=1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3;
(3)Std. InChIKey:XMLYCEVDHLAQEL-UHFFFAOYSA-N.

The toxicity data of 2-Hydroxy-2-methylpropiophenone are as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 824mg/kg (824mg/kg)   National Technical Information Service. Vol. OTS0556311,
rat LD50 oral 1694mg/kg (1694mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LIVER: OTHER CHANGES
National Technical Information Service. Vol. OTS0556311,
rat LD50 skin 6929mg/kg (6929mg/kg)   National Technical Information Service. Vol. OTS0556311,