CAS No.2434-02-8,TETRAHYDROFURAN-2-ACETIC ACID ETHYL ESTER Suppliers

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Molecular Structure:
CAS No.:	2434-02-8
Name:	TETRAHYDROFURAN-2-ACETIC ACID ETHYL ESTER
Article Data:	18

Formula:	C₈H₁₄O₃
Molecular Weight:	158.197
Synonyms:	Ethyltetrahydrofuran-2-acetate;Tetrahydrofuran-2-acetic acid ethyl ester;
Density:	1.028 g/cm³
Boiling Point:	206.1 °C at 760 mmHg
Flash Point:	89.3 °C
PSA:	35.53000
LogP:	1.11860

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Specification

The 2-Furanacetic acid, tetrahydro-, ethyl ester, with the CAS registry number 2434-02-8, is also known as Ethyl tetrahydro-2-furanylacetate. This chemical's molecular formula is C₈H₁₄O₃ and molecular weight is 158.19. What's more, its systematic name is Ethyl tetrahydrofuran-2-ylacetate.

Physical properties about 2-Furanacetic acid, tetrahydro-, ethyl ester are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.06; (6)ACD/BCF (pH 7.4): 2.06; (7)ACD/KOC (pH 5.5): 58.32; (8)ACD/KOC (pH 7.4): 58.32; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 40.41 cm³; (15)Molar Volume: 153.8 cm³; (16)Polarizability: 16.02×10^-24 cm³; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 1.028 g/cm³; (19)Flash Point: 89.3 °C; (20)Enthalpy of Vaporization: 44.24 kJ/mol; (21)Boiling Point: 206.1 °C at 760 mmHg; (22)Vapour Pressure: 0.241 mmHg at 25 °C.

Preparation of 2-Furanacetic acid, tetrahydro-, ethyl ester: this chemical is prepared by reaction of Dihydro-furan-2-one with t-Butyldimethylsiloxy-1-ethoxyethene. This reaction needs reagent Et₃SiH, catalyst TrSbCl₆ and solvent CH₂Cl₂. This reaction needs two steps, the reaction conditions are 1) -78 °C, 2) -23 °C. The yield is about 75 %.

The 2-Furanacetic acid, tetrahydro-, ethyl ester can be obtained by Dihydro-furan-2-one and t-Butyldimethylsiloxy-1-ethoxyethene.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)CC1OCCC1
(2) InChI: InChI=1/C8H14O3/c1-2-10-8(9)6-7-4-3-5-11-7/h7H,2-6H2,1H3
(3) InChIKey: SNSYYBGUDOYAMB-UHFFFAOYAH