2013年11月17日星期日

Summary of 2',6'-Dihydroxyacetophenone

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 

CAS NO: 699-83-2                                 EINECS: 211-833-6 

Product Categories: FINE Chemical & INTERMEDIATES; Cromoglyn Sodium; Acetophenone series

Mainly uses: 
2',6'-Dihydroxyacetophenone (CAS NO.699-83-2) is used in organic synthesis. It is also used as pharmaceutical intermediates.

Handing and storage: 
Handling:Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Store in a well closed container.

Potential Health Effects:
Harmful if swallowed. The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation. Compound is Non-hazardous,Non-Toxic/Non-Flammable.

Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.

Personal Protective Equipment:
Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin: Wear appropriate protective gloves and clothing to prevent skin exposure to 2',6'-Dihydroxyacetophenone.
Clothing: Wear appropriate protective clothing to minimize 2',6'-Dihydroxyacetophenone contact with skin.
Respirators: Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Summary : 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.

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