CAS No.16874-34-3,Ethyl tetrahydro-2-furoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16874-34-3
Name:	Ethyl tetrahydro-2-furoate
Article Data:	17
Cas Database

Formula:	C₇H₁₂O₃
Molecular Weight:	144.17
Synonyms:	2-Furoicacid, tetrahydro-, ethyl ester (6CI,8CI);Ethyl 2-tetrahydrofuroate;Ethyltetrahydro-2-furancarboxylate;Ethyl tetrahydrofuroate;Tetrahydro-2-furoicacid ethyl ester;
Density:	1.077 g/cm³
Boiling Point:	180.813 °C at 760 mmHg
Flash Point:	65.583 °C
Appearance:	colorless to light yellow liquid
PSA:	35.53000
LogP:	0.72850

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Specification

The IUPAC name of Ethyl tetrahydro-2-furoate is ethyl oxolane-2-carboxylate. With the CAS registry number 16874-34-3, it is also named as 2-Furancarboxylic acid,tetrahydro-, ethyl ester. The product's category is Furan & Benzofuran. In addition, its molecular formula is C₇H₁₂O₃ and its molecular weight is 144.17. it is colorless to light yellow liquid, which is used as pharmaceutical intermediate and solvent.

The other characteristics of Ethyl tetrahydro-2-furoate can be summarized as: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 39; (8)ACD/KOC (pH 7.4): 39; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 35.636 cm³; (15)Molar Volume: 133.878 cm³; (16)Polarizability: 14.127×10^-24cm³; (17)Surface Tension: 34.546 dyne/cm; (18)Density: 1.077 g/cm³; (19)Flash Point: 65.583 °C; (20)Enthalpy of Vaporization: 41.708 kJ/mol; (21)Boiling Point: 180.813 °C at 760 mmHg; (22)Vapour Pressure: 0.879 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)C1OCCC1
(2)InChI: InChI=1/C7H12O3/c1-2-9-7(8)6-4-3-5-10-6/h6H,2-5H2,1H3
(3)InChIKey: GQQLWKZRORYGHY-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H12O3/c1-2-9-7(8)6-4-3-5-10-6/h6H,2-5H2,1H3
(5)Std. InChIKey: GQQLWKZRORYGHY-UHFFFAOYSA-N