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Cas Database |
| Name |
2-Hydroxy-2-methylpropiophenone |
EINECS | 231-272-0 |
| CAS No. | 7473-98-5 | Density | 1.083 g/cm3 |
| PSA | 37.30000 | LogP | 1.64020 |
| Solubility | 13.3g/L at 20℃ | Melting Point |
4 °C |
| Formula | C10H12O2 | Boiling Point | 260.8 °C at 760 mmHg |
| Molecular Weight | 164.204 | Flash Point | 108.2 °C |
| Transport Information | UN 3082 | Appearance | clear to pale yellow liquid |
| Safety | 23-36/37/39 | Risk Codes | 22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| 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; |
Article Data | 86 |
2-Hydroxy-2-methylpropiophenone Synthetic route
- 39158-85-5
2-methyl-1-phenyl-1-trimethylsiloxy-1-propene
- 7473-98-5
2-hydroxy-2-methylpropiophenone
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With trifluoroacetic acid In methanol for 2h; | 99% |
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate for 72h; Ambient temperature; | 98% |
| With sodium hydroxide In water | 94.8% |
| With diethyl methylmalonate anion In dimethyl sulfoxide Irradiation; | 62% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| 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 |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
2-Hydroxy-2-methylpropiophenone 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, |
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