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CAS No.: | 876-02-8 |
---|---|
Name: | 4'-Hydroxy-3'-methylacetophenone |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C9H10O2 |
Molecular Weight: | 150.177 |
Synonyms: | Acetophenone,4'-hydroxy-3'-methyl- (7CI,8CI);1-(3-Methyl-4-hydroxyphenyl)ethanone;1-(4-Hydroxy-3-methylphenyl)ethanone;2-Methyl-4-acetylphenol;3'-Methyl-4'-hydroxyacetophenone;4-Acetyl-2-methylphenol;Ethanone,1-(4-hydroxy-3-methylphenyl)-;NSC 63365;4-Hydroxy-3-methylacetophenone; |
EINECS: | 212-880-5 |
Density: | 1.106 g/cm3 |
Melting Point: | 107-109 °C(lit.) |
Boiling Point: | 301.6 °C at 760 mmHg |
Flash Point: | 127.3 °C |
Appearance: | white to light beige crystalline powder |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 36/37/38-22 |
Safety: | 36/37/39-26-22-37/39 |
PSA: | 37.30000 |
LogP: | 1.90320 |
Conditions | Yield |
---|---|
With aluminium trichloride In carbon disulfide 1.) RT, 1 h, 2.) reflux, 12 h; | 96% |
With sublimated iron chloride |
acetic acid
ortho-cresol
A
4-hydroxy-3-methylphenyl methyl ketone
B
2-acetyl-6-methylphenol
Conditions | Yield |
---|---|
With aluminum oxide; methanesulfonic acid at 140℃; for 5h; | A 92% B 8% |
With aluminum oxide; methanesulfonic acid at 140℃; for 0.0833333h; | A 92% B 8% |
2-methylphenyl acetate
A
4-hydroxy-3-methylphenyl methyl ketone
B
2-acetyl-6-methylphenol
Conditions | Yield |
---|---|
With aluminum oxide; methanesulfonic acid at 160℃; for 0.166667h; | A 85% B 15% |
With potassium carbonate In hexane at 25℃; for 12h; Irradiation; | A 12% B 74% |
With zirconium(IV) chloride In dichloromethane for 8h; Ambient temperature; Irradiation; | A 32% B 47% |
With aluminum (III) chloride at 120 - 180℃; for 2h; Fries Phenol Ester Rearrangement; |
Conditions | Yield |
---|---|
Stage #1: acetic acid With trifluoromethylsulfonic anhydride at 20 - 60℃; Stage #2: ortho-cresol at 60℃; for 0.166667h; regiospecific reaction; | 83% |
Conditions | Yield |
---|---|
With aluminium trichloride In nitromethane at 50℃; Fries rearrangement; | 76% |
With N,N-dimethyl-formamide; zinc at 68℃; for 5h; Fries rearrangement; microwave irradiation; | 74% |
With aluminum (III) chloride at 25 - 165℃; for 2h; | 28% |
4'-amino-3'-methyl-acetophenone
4-hydroxy-3-methylphenyl methyl ketone
Conditions | Yield |
---|---|
With hydrogenchloride; sodium nitrite durch Erhitzen der Diazoniumsalzloesung; |
1-ethynyl-4-methyl-cyclohexa-2,5-diene-1,4-diol
4-hydroxy-3-methylphenyl methyl ketone
Conditions | Yield |
---|---|
With sulfuric acid |
ortho-cresol
acetyl chloride
A
4-hydroxy-3-methylphenyl methyl ketone
B
2-acetyl-6-methylphenol
Conditions | Yield |
---|---|
With titanium tetrachloride; nitrobenzene at 30℃; |
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid 1.) room temperature, 1.5-3.5 h, 2.) 14 d; Yield given. Multistep reaction; |
Conditions | Yield |
---|---|
titanium tetrachloride | |
Multi-step reaction with 2 steps 1: sulfuric acid / 0.5 h / 20 °C 2: aluminum (III) chloride / 2 h / 120 - 180 °C View Scheme |
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Molecular Structure of 4-Hydroxy-3-methylacetophenone (CAS NO.876-02-8):
Molecular formula: C9H10O2
Molecular Weight: 150.17
EINECS: 212-880-5
Melting point: 107-109 °C(lit.)
Boiling Point: 301.6 °C at 760 mmHg
Flash Point: 127.3 °C
Index of Refraction: 1.546
Molar Refractivity: 42.98 cm3
Molar Volume: 135.6 cm3
Polarizability: 17.04 10-24 cm3
Surface Tension: 41.8 dyne/cm
Density: 1.106 g/cm3
Enthalpy of Vaporization: 56.34 kJ/mol
Vapour Pressure: 0.000585 mmHg at 25°C
BRN: 2041839
Physical Appearance: white to light beige crystalline powder
Product Categories: Aromatic Acetophenones & Derivatives (substituted);Benzene series;Benzene derivatives;C9;Carbonyl Compounds;Ketones
IUPAC Name: 1-(4-hydroxy-3-methylphenyl)ethanone
Synonyms: Ethanone, 1-(4-hydroxy-3-methylphenyl)-;4-ACETYL-2-METHYLPHENOL;4-HYDROXY-3-METHYLACETOPHENONE;1-(4-HYDROXY-3-METHYLPHENYL)ETHANONE;3'-Methyl-4'-Hydroxy Acetophenone;4'-Hydroxy-3'-methylacetophenone, 99.5+%;1-(4-HYDROXY-3-METHYLPHENYL)ETHAN-1-ONE;4'-HYDROXY-3'-METHYLACETOPHENONE;
Hazard Codes: Xi,Xn
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 36/37/39-26-22-37/39
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S22:Do not breathe dust.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT