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CAS No.: | 89-84-9 |
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Name: | 2,4-Dihydroxyacetophenone |
Article Data: | 161 |
Molecular Structure: | |
Formula: | C8H8O3 |
Molecular Weight: | 152.15 |
Synonyms: | 4-Acetylresorcinol;Resacetophenone;2,4-Dihydroxyacetophenone; |
EINECS: | 201-945-3 |
Density: | 1.291 g/cm3 |
Melting Point: | 143-144.5 °C(lit.) |
Boiling Point: | 319.3 °C at 760 mmHg |
Flash Point: | 161.1 °C |
Appearance: | yellow-brown to reddish-brown fine cryst. powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-24/25 |
PSA: | 57.53000 |
LogP: | 1.30040 |
2-hydroxy-4-(methoxymethoxy)acetophenone
2',4'-dihydroxy-4-acetophenone
Conditions | Yield |
---|---|
H6P2W18O62; silica gel In tetrahydrofuran; methanol at 70℃; for 0.75h; Product distribution; Further Variations:; Catalysts; Solvents; Temperatures; | 100% |
With toluene-4-sulfonic acid In neat (no solvent, solid phase) at 20℃; for 0.583333h; Green chemistry; | 90% |
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate for 0.0333333h; microwave irradiation; | 98% |
With iron(III) chloride for 0.0221667h; Friedel Crafts acylation; Microwave irradiation; regioselective reaction; | 98% |
With zinc(II) chloride Reflux; | 98% |
2,4-diacetoxy acetophenone
2',4'-dihydroxy-4-acetophenone
Conditions | Yield |
---|---|
With water; sodium acetate In ethanol for 5h; Reflux; | 98% |
Conditions | Yield |
---|---|
With acyltransferase from bacterium Pseudomonas sp.YGJ3 In aq. phosphate buffer; dimethyl sulfoxide at 35℃; for 18h; pH=7.5; Friedel-Crafts Acylation; Enzymatic reaction; regioselective reaction; | 97% |
2',4'-dihydroxy-4-acetophenone
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In neat (no solvent, solid phase) at 20℃; for 0.583333h; Green chemistry; | 95% |
Conditions | Yield |
---|---|
With periodic acid at 20℃; for 0.0833333h; | 92% |
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate; acetic acid Inert atmosphere; | 91% |
Conditions | Yield |
---|---|
With acetic acid; zinc(II) chloride at 60℃; for 4h; Temperature; Large scale; | 90.6% |
With PPA Reflux; | 68% |
With phosphorus pentoxide; silica gel at 100℃; for 24h; | 65% |
1-[4-(benzyloxy)-2-hydroxyphenyl]ethanone
2',4'-dihydroxy-4-acetophenone
Conditions | Yield |
---|---|
With formic acid; sodium formate; palladium on activated charcoal In methanol for 1h; Product distribution; Heating; other aryl benzyl ethers; | 90% |
With formic acid; sodium formate; palladium on activated charcoal In methanol for 1h; Heating; | 90% |
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Molecule structure of 2,4-Dihydroxyacetophenone (CAS NO.89-84-9):
IUPAC Name: 1-(2,4-Dihydroxyphenyl)ethanone
Molecular Weight: 152.14732 g/mol
Molecular Formula: C8H8O3
Density: 1.18 g/mL at 25 °C(lit.)
Melting Point: 143-144.5 °C(lit.)
Boiling Point: 319.3 °C at 760 mmHg
Flash Point: 161.1 °C
Index of Refraction: 1.595
Molar Refractivity: 40.04 cm3
Molar Volume: 117.8 cm3
Polarizability: 15.87×10-24 cm3
Surface Tension: 56.1 dyne/cm
Enthalpy of Vaporization: 58.32 kJ/mol
Vapour Pressure: 0.000183 mmHg at 25 °C
Sensitive Moisture: sensitive
XLogP3: 1.7
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 21
Exact Mass: 152.047344
MonoIsotopic Mass: 152.047344
Topological Polar Surface Area: 57.5
Heavy Atom Count: 11
Complexity: 155
Canonical SMILES: CC(=O)C1=C(C=C(C=C1)O)O
InChI: InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3
InChIKey: SULYEHHGGXARJS-UHFFFAOYSA-N
EINECS: 201-945-3
Product Categories: Acetophenone Series; Aromatic Acetophenones & Derivatives (substituted); Benzene series
2,4-Dihydroxyacetophenone (CAS NO.89-84-9) is used as intermediates in organic synthesis.
2,4-Dihydroxyacetophenone is made by acetylation of acetic acid and resorcinol .
1. | eye-rbt 500 mg SEV | IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. 6 (1967),1. | ||
2. | orl-rat LD50:2830 mg/kg | IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. 6 (1967),1. |
Reported in EPA TSCA Inventory.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: AM7525000
Hazard Note: Irritant
HS Code: 29145000
Moderately toxic by ingestion. Experimental reproductive effects. A severe eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
2,4-Dihydroxyacetophenone (CAS NO.89-84-9) is also named as 1-(2,4-Dihydroxyphenyl)ethanone ; 2,4-Dihydroxyacetophenone ; 4-08-00-01792 (Beilstein Handbook Reference) ; 4-Acetylresorcinol ; AI3-00866 ; BRN 1282505 ; NSC 10883 ; Resacetophenone ; Resoacetophenone ; Resorcinol, 4-acetyl- ; UNII-UC3V356VZC . 2,4-Dihydroxyacetophenone (CAS NO.89-84-9) is yellow-brown to reddish-brown fine cryst. It is soluble in hot alcohol, pyridine, and glacial acetic acid, almost insoluble in ether, benzene and chloroform.