CAS No.2150-36-9,METHYL 3,5-DIACETOXYBENZOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2150-36-9
Name:	METHYL 3,5-DIACETOXYBENZOATE
Article Data:	4

Formula:	C₁₂H₁₂O₆
Molecular Weight:	252.224
Synonyms:	a-Resorcylic acid, methyl ester,diacetate (7CI,8CI);Methyl 3,5-diacetoxybenzoate;Methyl 3,5-bis(acetyloxy)benzoate;
Density:	1.245 g/cm³
Boiling Point:	377.1 °C at 760 mmHg
Flash Point:	167.9 °C
Hazard Symbols:	Xi
PSA:	78.90000
LogP:	1.32380

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Specification

The Benzoic acid,3,5-bis(acetyloxy)-, methyl ester, with the CAS registry number 2150-36-9, is also known as Methyl 3,5-diacetoxybenzoate. This chemical's molecular formula is C₁₂H₁₂O₆ and molecular weight is 252.22. What's more, its systematic name is Methyl 3,5-bis(acetyloxy)benzoate and it belongs to the product category of Aromatic Esters.

Physical properties of Benzoic acid,3,5-bis(acetyloxy)-, methyl ester are: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 78.9 Å²; (7)Index of Refraction: 1.511; (8)Molar Refractivity: 60.7 cm³; (9)Molar Volume: 202.5 cm³; (10)Polarizability: 24.06×10^-24cm³; (11)Surface Tension: 41.8 dyne/cm; (12)Density: 1.245 g/cm³; (13)Flash Point: 167.9 °C; (14)Enthalpy of Vaporization: 62.48 kJ/mol; (15)Boiling Point: 377.1 °C at 760 mmHg; (16)Vapour Pressure: 6.93E-06 mmHg at 25°C.

Uses of Benzoic acid,3,5-bis(acetyloxy)-, methyl ester: it can be used to produce 3,5-dihydroxy-benzoic acid methyl ester at the temperature of 80 °C. It will need solvents toluene, H₂O and catalyst TsOH/SiO₂ with the reaction time of 6 hours. The yield is about 90%.

Benzoic acid,3,5-bis(acetyloxy)-, methyl ester can be used to produce 3,5-dihydroxy-benzoic acid methyl ester at the temperature of 80 °C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1cc(cc(OC(=O)C)c1)C(=O)OC)C
(2)InChI: InChI=1S/C12H12O6/c1-7(13)17-10-4-9(12(15)16-3)5-11(6-10)18-8(2)14/h4-6H,1-3H3
(3)InChIKey: XZEYNOHQYSXYEQ-UHFFFAOYSA-N