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4220-66-0

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Basic Information
CAS No.: 4220-66-0
Name: METHYL 4 4-DIMETHOXYBUTYRATE 97
Article Data: 1
Molecular Structure:
Molecular Structure of 4220-66-0 (METHYL 4 4-DIMETHOXYBUTYRATE 97)
Formula: C7H14O4
Molecular Weight: 162.186
Synonyms: 4,4-Dimethoxybutyric acid methyl ester;Methyl 4,4-dimethoxybutanoate;Methyl 4,4-dimethoxybutyrate;
Density: 1.009 g/cm3
Boiling Point: 191.8 °C at 760 mmHg
Flash Point: 71.5 °C
Appearance: Liquid
PSA: 44.76000
LogP: 0.55850
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Specification

The Butanoic acid,4,4-dimethoxy-,methyl ester, with the CAS registry number of 4220-66-0, is also known as 4,4-Dimethoxybutyric acid methyl ester. It belongs to the product categories of C6 to C7; Carbonyl Compounds; Esters. The molecular formula of this chemical is C7H14O4 and its molecular weight is 162.184. What's more, its IUPAC name is Methyl 4,4-dimethoxybutanoate. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Butanoic acid,4,4-dimethoxy-,methyl ester are: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.408; (8)Molar Refractivity: 39.7 cm3; (9)Molar Volume: 160.6 cm3; (10)Polarizability: 15.73×10-24 cm3; (11)Surface Tension: 28.7 dyne/cm; (12)Density: 1.009 g/cm3; (13)Flash Point: 71.5 °C; (14)Enthalpy of Vaporization: 42.8 kJ/mol; (15)Boiling Point: 191.8 °C at 760 mmHg; (16)Vapour Pressure: 0.505 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)CCC(OC)OC
(2) InChI: InChI=1/C7H14O4/c1-9-6(8)4-5-7(10-2)11-3/h7H,4-5H2,1-3H3
(3) InChIKey: MMRXJPOAPCEDLP-UHFFFAOYAP