CAS No.2217-33-6,TETRAHYDROFURFURYL BUTYRATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2217-33-6
Name:	TETRAHYDROFURFURYL BUTYRATE

Formula:	C₉H₁₆O₃
Molecular Weight:	172.224
Synonyms:	Butyricacid, tetrahydrofurfuryl ester (8CI);Tetrahydrofurfuryl butyrate;
EINECS:	218-710-6
Density:	1.011g/cm³
Boiling Point:	234.4 °C at 760 mmHg
Flash Point:	98.9 °C
PSA:	35.53000
LogP:	1.50870

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Specification

The Butanoic acid,(tetrahydro-2-furanyl)methyl ester, with CAS registry number 2217-33-6, belongs to the following product categories: (1)Alphabetical Listings; (2)Flavors and Fragrances; (3)Q-Z. It has the systematic name of tetrahydrofuran-2-ylmethyl butanoate. And the chemical formula of this chemical is C₉H₁₆O₃.

Physical properties of Butanoic acid,(tetrahydro-2-furanyl)methyl ester: (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): 4.97; (6)ACD/BCF (pH 7.4): 4.97; (7)ACD/KOC (pH 5.5): 109.71; (8)ACD/KOC (pH 7.4): 109.71; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 45.05 cm³; (15)Molar Volume: 170.3 cm³; (16)Polarizability: 17.86×10^-24cm³; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 1.011 g/cm³; (19)Flash Point: 98.9 °C; (20)Enthalpy of Vaporization: 47.11 kJ/mol; (21)Boiling Point: 234.4 °C at 760 mmHg; (22)Vapour Pressure: 0.053 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC1OCCC1)CCC
(2)InChI: InChI=1/C9H16O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h8H,2-7H2,1H3
(3)InChIKey: DPZVDLFOAZNCBU-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H16O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h8H,2-7H2,1H3
(5)Std. InChIKey: DPZVDLFOAZNCBU-UHFFFAOYSA-N