Name: 2-HEXANOYLFURAN
SKU: 14360-50-0

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Basic Information

Molecular Structure:
CAS No.:	14360-50-0
Name:	2-HEXANOYLFURAN
Article Data:	11

Formula:	C₁₀H₁₄O₂
Molecular Weight:	166.22
Synonyms:	1-Hexanone,1-(2-furyl)- (6CI,8CI);1-(2-Furanyl)-1-hexanone;2-Caproylfuran;2-Furyln-pentyl ketone;2-Furyl pentyl ketone;2-Hexanoylfuran;NSC 27361;
EINECS:	238-333-0
Density:	0.979 g/cm³
Boiling Point:	243.5 °C at 760 mmHg
Flash Point:	106 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	30.21000
LogP:	3.04260

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Specification

This chemical is called 1-Hexanone, 1-(2-furanyl)-, and its CAS registry number is 14360-50-0. With the molecular formula of C₁₀H₁₄O₂, its molecular weight is 166.22. In addition, this chemical should be sealed in the ventilated and dry place, away from oxides.

Other characteristics of the 1-Hexanone, 1-(2-furanyl)- can be summarised as followings: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 59.92; (6)ACD/BCF (pH 7.4): 59.92; (7)ACD/KOC (pH 5.5): 651.64; (8)ACD/KOC (pH 7.4): 651.64; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 30.21 Å²; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 47.11 cm³; (15)Molar Volume: 169.7 cm³; (16)Polarizability: 18.67×10^-24cm³; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 0.979 g/cm³; (19)Flash Point: 106 °C; (20)Enthalpy of Vaporization: 48.05 kJ/mol; (21)Boiling Point: 243.5 °C at 760 mmHg; (22)Vapour Pressure: 0.032 mmHg at 25°C.

Production method of this chemical: The 1-Hexanone, 1-(2-furanyl)- could be obtained by the reactants of furan and hexanoic acid. This reaction needs the reagent of trifluoroacetic anhydride, and the solvent of nitromethane. The yield is 92 %. In addition, this reaction should be taken for 0.5 hour at the temperature of 25 °C.

Uses of this chemical: The 1-Hexanone, 1-(2-furanyl)- could react with Trimethyl sulfonium bromid, and obtain the 2-(2-pentyl-oxiranyl)-furan. This reaction needs the reagent of potassium hydroxide, and the solvents of acetonitrile, H₂O. The yield is 95 %. In addition, this reaction should be taken for 2 hours at the temperature of 60 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1occc1)CCCCC
2.InChI: InChI=1/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3
3.InChIKey: YUAYWSBSIJVIBS-UHFFFAOYAJ