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60856-83-9

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Basic Information
CAS No.: 60856-83-9
Name: Ethyl 2-Hydroxy-4-Methylvalerate
Article Data: 10
Molecular Structure:
Molecular Structure of 60856-83-9 (Ethyl 2-Hydroxy-4-Methylvalerate)
Formula: C8H16O3
Molecular Weight: 160.213
Synonyms: Pentanoic acid, 2-hydroxy-4-methyl-, ethyl ester;
EINECS: 233-760-9
Density: 0.986 g/cm3
Boiling Point: 197.4 °C at 760 mmHg
Flash Point: 74 °C
PSA: 46.53000
LogP: 0.95650
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Specification

The Ethyl 2-Hydroxy-4-Methylvalerate, with the CAS registry number 60856-83-9, is also known as Pentanoic acid, 2-hydroxy-4-methyl-, ethyl ester. This chemical's molecular formula is C8H16O3 and molecular weight is 160.2108. What's more, its systematic name is Ethyl 2-hydroxy-4-methylpentanoate.

Physical properties about Ethyl 2-Hydroxy-4-Methylvalerate are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 110.17; (8)ACD/KOC (pH 7.4): 110.17; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 42.33 cm3; (15)Molar Volume: 162.3 cm3; (16)Polarizability: 16.78×10-24 cm3; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 0.986 g/cm3; (19)Flash Point: 74 °C; (20)Enthalpy of Vaporization: 50.45 kJ/mol; (21)Boiling Point: 197.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0967 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)C(O)CC(C)C
(2) InChI: InChI=1/C8H16O3/c1-4-11-8(10)7(9)5-6(2)3/h6-7,9H,4-5H2,1-3H3
(3) InChIKey: QRHOWVDPHIXNEN-UHFFFAOYAK