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Ethyl 4-hydroxybutanoate

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Name

Ethyl 4-hydroxybutanoate

EINECS
CAS No. 999-10-0 Density 1.027 g/cm3
Solubility Melting Point
Formula C6H12O3 Boiling Point 204.8 °C at 760 mmHg
Molecular Weight 132.16 Flash Point 81.4 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 999-10-0 (Butanoic acid,4-hydroxy-, ethyl ester) Hazard Symbols
Synonyms

Butyricacid, 4-hydroxy-, ethyl ester (6CI,7CI,8CI);Ethyl 4-hydroxybutanoate;Ethyl4-hydroxybutyrate;Ethyl g-hydroxybutyrate;NSC 617295;

 

Ethyl 4-hydroxybutanoate Specification

The Ethyl 4-hydroxybutanoate, with the CAS registry number 999-10-0, is also called Butanoic acid, 4-hydroxy, ethyl ester. And the molecular formula of the chemical is C6H12O3.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.429; (8)Molar Refractivity: 33.15 cm3; (9)Molar Volume: 128.5 cm3; (10)Polarizability: 13.14×10-24cm3; (11)Surface Tension: 34.8 dyne/cm; (12)Density: 1.027 g/cm3; (13)Flash Point: 81.4 °C; (14)Enthalpy of Vaporization: 51.3 kJ/mol; (15)Boiling Point: 204.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0619 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)CCCO
(2)InChI: InChI=1/C6H12O3/c1-2-9-6(8)4-3-5-7/h7H,2-5H2,1H3
(3)InChIKey: AYPJVXQBVHCUCJ-UHFFFAOYAR

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