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3852-11-7

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Basic Information
CAS No.: 3852-11-7
Name: 3-METHOXYISOBUTYRIC ACID METHYL ESTER
Molecular Structure:
Molecular Structure of 3852-11-7 (3-METHOXYISOBUTYRIC ACID METHYL ESTER)
Formula: C6H12O3
Molecular Weight: 132.159
Synonyms: Propionicacid, 3-methoxy-2-methyl-, methyl ester (6CI,7CI,8CI);Methyl2-methyl-3-methoxypropionate;Methyl 3-methoxy-2-methylpropanoate;Methyl3-methoxy-2-methylpropionate;Methyl b-methoxyisobutyrate;
EINECS: 223-359-7
Density: 0.959 g/cm3
Boiling Point: 159.5 °C at 760 mmHg
Flash Point: 49.7 °C
Risk Codes: 10
Safety: 16
Transport Information: UN 3272
PSA: 35.53000
LogP: 0.44190
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Specification

The CAS registry number of Propanoic acid,3-methoxy-2-methyl-, methyl ester is 3852-11-7. This chemical is also named as Methyl 3-methoxyisobutyrate. Its EINECS registry number is 223-359-7. In addition, its molecular formula is C6H12O3 and molecular weight is 132.16. Its systematic name and IUPAC name are the same which is called methyl 3-methoxy-2-methylpropanoate. This chemical is flammable. You should keep it away from sources of ignition - No smoking.

Physical properties about Propanoic acid,3-methoxy-2-methyl-, methyl ester are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 1.5; (6)ACD/BCF (pH 7.4): 1.5; (7)ACD/KOC (pH 5.5): 46.53; (8)ACD/KOC (pH 7.4): 46.53; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.398; (13)Molar Refractivity: 33.32 cm3; (14)Molar Volume: 137.7 cm3; (15)Surface Tension: 26.5 dyne/cm; (16)Density: 0.959 g/cm3; (17)Flash Point: 49.7 °C; (18)Enthalpy of Vaporization: 39.61 kJ/mol; (19)Boiling Point: 159.5 °C at 760 mmHg; (20)Vapour Pressure: 2.49 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C(C)COC
(2)InChI: InChI=1/C6H12O3/c1-5(4-8-2)6(7)9-3/h5H,4H2,1-3H3
(3)InChIKey: LYLUAHKXJUQFDG-UHFFFAOYAO