(5-acetyl-2-acetyloxy-phenyl) acetate supplier

Name
ACETIC ACID 2-ACETOXY-5-ACETYL-PHENYL ESTER
EINECS
CAS No. 72712-21-1
Article Data7
CAS DataBase
Density 1.203 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂O₅
Boiling Point 379.2 °C at 760 mmHg
Molecular Weight 236.224
Flash Point 169.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Acetyl-1,2-phenylene diacetate; Acetic acid 2-acetoxy-5-acetyl-phenyl ester; Acetic acid, 2-acetoxy-5-acetylphenyl ester; ethanone, 1-[3,4-bis(acetyloxy)phenyl]-
PSA 69.67000
LogP 1.73980

(5-acetyl-2-acetyloxy-phenyl) acetate Specification

This chemical is called (5-acetyl-2-acetyloxy-phenyl) acetate, and it can also be named as Acetic acid, 2-acetoxy-5-acetylphenyl ester. With the molecular formula of C₁₂H₁₂O₅, its molecular weight is 236.22. The CAS registry number of this chemical is 72712-21-1.

Other characteristics of the (5-acetyl-2-acetyloxy-phenyl) acetate can be summarised as followings: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 69.67 Å²; (7)Index of Refraction: 1.512; (8)Molar Refractivity: 58.96 cm³; (9)Molar Volume: 196.2 cm³; (10)Polarizability: 23.37×10^-24cm³; (11)Surface Tension: 40.6 dyne/cm; (12)Density: 1.203 g/cm³; (13)Flash Point: 169.5 °C; (14)Enthalpy of Vaporization: 62.72 kJ/mol; (15)Boiling Point: 379.2 °C at 760 mmHg; (16)Vapour Pressure: 5.95E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(Oc1cc(ccc1OC(=O)C)C(=O)C)C
2.InChI: InChI=1/C12H12O5/c1-7(13)10-4-5-11(16-8(2)14)12(6-10)17-9(3)15/h4-6H,1-3H3
3.InChIKey: DBRDKWNUFUAJKH-UHFFFAOYAX

Product Name

ACETIC ACID 2-ACETOXY-5-ACETYL-PHENYL ESTER

(5-acetyl-2-acetyloxy-phenyl) acetate Specification

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