Pentanoic acid,2-hydroxy-4-methyl-, ethyl ester supplier

Name
ethyl 2-hydroxy-4-methylvalerate
EINECS 233-760-9
CAS No. 10348-47-7
Article Data7
CAS DataBase
Density 0.986 g/cm³
Solubility
Melting Point
Formula C₈H₁₆O₃
Boiling Point 197.4 °C at 760 mmHg
Molecular Weight 160.213
Flash Point 74 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Valericacid, 2-hydroxy-4-methyl-, ethyl ester (7CI,8CI);Ethyl 2-hydroxy-4-methylpentanoate;Ethyl 2-hydroxy-4-methylvalerate;Ethyl 2-hydroxy-iso-hexanoate;Ethyl 2-hydroxyisocaproate;
PSA 46.53000
LogP 0.95650

Pentanoic acid,2-hydroxy-4-methyl-, ethyl ester Specification

The Pentanoic acid,2-hydroxy-4-methyl-, ethyl ester, with the CAS registry number 10348-47-7, is also known as Ethyl 2-hydroxy-iso-hexanoate. This chemical's molecular formula is C₈H₁₆O₃ and molecular weight is 160.21. What's more, its systematic name is Ethyl 2-hydroxy-4-methylpentanoate and its EINECS number is 233-760-9.

Physical properties of Pentanoic acid,2-hydroxy-4-methyl-, ethyl ester 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^-24cm³; (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-UHFFFAOYSA-N

Product Name

ethyl 2-hydroxy-4-methylvalerate

Pentanoic acid,2-hydroxy-4-methyl-, ethyl ester Specification

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