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| CAS No.: | 699-83-2 |
|---|---|
| Name: | 2',6'-Dihydroxyacetophenone |
| Article Data: | 27 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H8O3 |
| Molecular Weight: | 152.15 |
| Synonyms: | Acetophenone,2,6-dihydroxy- (3CI);Acetophenone, 2',6'-dihydroxy- (7CI,8CI);1,3-Benzenediol, 2-acetyl-;1-(2,6-Dihydroxyphenyl)ethanone;2-Acetylbenzene-1,3-diol;2-Acetylresorcinol;Ethanone,1-(2,6-dihydroxyphenyl)-;NSC615; |
| EINECS: | 211-833-6 |
| Density: | 1.291 g/cm3 |
| Melting Point: | 156-158 °C(lit.) |
| Boiling Point: | 262.8 °C at 760 mmHg |
| Flash Point: | 127 °C |
| Solubility: | sparingly soluble in water |
| Appearance: | yellowish-beige powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25 |
| PSA: | 57.53000 |
| LogP: | 1.30040 |
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2,6-diacetoxyacetophenone
- 699-83-2
2,6-dihydroxylacetophenone
| Conditions | Yield |
|---|---|
| With water; sodium acetate In ethanol for 5h; Reflux; | 92% |
| Conditions | Yield |
|---|---|
| With hydrogen fluoride supported on silica gel In neat (no solvent) at 55℃; for 4h; Green chemistry; | 60% |
| With Fluoro Flash In neat (no solvent) at 80℃; for 4h; Catalytic behavior; Fries Phenol Ester Rearrangement; Green chemistry; |
- 30992-74-6
4,5-dihydroxy-2H-benzopyran-2-one
- 699-83-2
2,6-dihydroxylacetophenone
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| With aluminium trichloride; chlorobenzene auf Siedetemperatur; | |
| With aluminium trichloride; toluene at 120℃; |
- 62970-17-6
3-acetyl-2,4-dihydroxy-benzoic acid methyl ester
- 699-83-2
2,6-dihydroxylacetophenone
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
- 52956-20-4
2-acetyl-2-chloro-1,3-cyclohexanedione
- 699-83-2
2,6-dihydroxylacetophenone
| Conditions | Yield |
|---|---|
| With hydrogenchloride In N,N-dimethyl-formamide | |
| (i) HCl, DMF, (ii) aq. HCl; Multistep reaction; | |
| With hydrogenchloride In d7-N,N-dimethylformamide at 120 - 130℃; for 0.333333h; Yield given; |
- 108-24-7
acetic anhydride
- 141-97-9
ethyl acetoacetate
- 108-46-3
recorcinol
- 699-83-2
2,6-dihydroxylacetophenone
| Conditions | Yield |
|---|---|
| Multistep reaction; |
- 37514-00-4
2-acetyl-1,3-cyclohexanedione enol
- 699-83-2
2,6-dihydroxylacetophenone
| Conditions | Yield |
|---|---|
| With mercury(II) diacetate; sodium acetate In acetic acid |
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Chemistry
Molecule structure of 2',6'-Dihydroxyacetophenone (CAS NO.699-83-2):
IUPAC Name: 1-(2,6-Dihydroxyphenyl)ethanone
Molecular Weight: 152.14732 g/mol
Molecular Formula: C8H8O3
Density: 1.291 g/cm3
Melting Point: 156-158 °C(lit.)
Boiling Point: 262.8 °C at 760 mmHg
Flash Point: 127 °C
Index of Refraction: 1.595
Molar Refractivity: 40.04 cm3
Molar Volume: 117.8 cm3
Surface Tension: 56.1 dyne/cm
Enthalpy of Vaporization: 52.08 kJ/mol
Vapour Pressure: 0.00656 mmHg at 25 °C
Solubility Dioxane: 50 mg/mL, clear
Water Solubility: sparingly soluble
XLogP3-AA: 1.4
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 12
Exact Mass: 152.047344
MonoIsotopic Mass: 152.047344
Topological Polar Surface Area: 57.5
Heavy Atom Count: 11
Canonical SMILES: CC(=O)C1=C(C=CC=C1O)O
InChI: InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
InChIKey: YPTJKHVBDCRKNF-UHFFFAOYSA-N
EINECS: 211-833-6
Product Categories: FINE Chemical & INTERMEDIATES; Cromoglyn Sodium; Acetophenone series
Uses
2',6'-Dihydroxyacetophenone (CAS NO.699-83-2) is used in organic synthesis. It is also used as pharmaceutical intermediates.
Safety Profile
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: 3
Hazard Note: Irritant
HS Code: 29145000
Specification
2',6'-Dihydroxyacetophenone (CAS NO.699-83-2) is also named as 1,3-Benzenediol, 2-acetyl- ; 2,6-Dihydroxyacetophenone ; 2-Acetylresorcinol ; NSC 615 ; Resorcinol, 2-acetyl- ; gamma-Resacetophenone ; Acetophenone, 2',6'-dihydroxy- (8CI) ; Ethanone, 1-(2,6-dihydroxyphenyl)- (9CI) . 2',6'-Dihydroxyacetophenone (CAS NO.699-83-2) is yellowish-beige powder.