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7779-67-1

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Basic Information
CAS No.: 7779-67-1
Name: ISOAMYL 3-(2-FURAN)PROPIONATE
Molecular Structure:
Molecular Structure of 7779-67-1 (ISOAMYL 3-(2-FURAN)PROPIONATE)
Formula: C12H18O3
Molecular Weight: 210.27
Synonyms: 2-Furanpropionicacid, isopentyl ester (8CI);Isopentyl alcohol, 2-furanpropionate;Isoamyl2-furanpropionate;Isoamyl furylpropanoate;a-Isoamyl furfurylacetate;
EINECS: 231-932-8
Density: 1.011 g/cm3
Boiling Point: 266.6 °C at 760 mmHg
Flash Point: 114.6 °C
PSA: 39.44000
LogP: 2.80150
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  • 2-Furanpropanoic acid,3-methylbutyl ester

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    2-Furanpropanoic acid,3-methylbutyl ester

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  • 2-Furanpropanoic acid,3-methylbutyl ester

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    2-Furanpropanoic acid,3-methylbutyl ester

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  • ISOAMYL 3-(2-FURAN)PROPIONATE

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    ISOAMYL 3-(2-FURAN)PROPIONATE

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Specification

The CAS register number of 2-Furanpropanoic acid,3-methylbutyl ester is 7779-67-1. It also can be called as Isoamyl furylpropanoate and the systematic name about this chemical is 3-methylbutyl 3-(furan-2-yl)propanoate. The molecular formula about this chemical is C12H18O3 and the molecular weight is 210.27. It belongs to the following product categories which include Alphabetical Listings; Flavors and Fragrances; I-L and so on.

Physical properties about 2-Furanpropanoic acid,3-methylbutyl ester are: (1)ACD/LogP: 3.36; (2)ACD/LogD (pH 5.5): 3.36; (3)ACD/LogD (pH 7.4): 3.36; (4)ACD/BCF (pH 5.5): 211.04; (5)ACD/BCF (pH 7.4): 211.04; (6)ACD/KOC (pH 5.5): 1604.68; (7)ACD/KOC (pH 7.4): 1604.68; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 39.44 Å2; (11)Index of Refraction: 1.466; (12)Molar Refractivity: 57.63 cm3; (13)Molar Volume: 207.9 cm3; (14)Polarizability: 22.84x10-24cm3; (15)Surface Tension: 33 dyne/cm; (16)Density: 1.011 g/cm3; (17)Flash Point: 114.6 °C; (18)Enthalpy of Vaporization: 50.45 kJ/mol; (19)Boiling Point: 266.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00858 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCC(C)C)CCc1occc1
(2)InChI: InChI=1/C12H18O3/c1-10(2)7-9-15-12(13)6-5-11-4-3-8-14-11/h3-4,8,10H,5-7,9H2,1-2H3
(3)InChIKey: ZVMWAVZRUZDYMV-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H18O3/c1-10(2)7-9-15-12(13)6-5-11-4-3-8-14-11/h3-4,8,10H,5-7,9H2,1-2H3
(5)Std. InChIKey: ZVMWAVZRUZDYMV-UHFFFAOYSA-N