2-Hexylfuran supplier | CasNO.3777-70-6

Name
2-Hexylfuran
EINECS 223-235-2
CAS No. 3777-70-6
Article Data24
CAS DataBase
Density 0.889g/cm³
Solubility
Melting Point
Formula C₁₀H₁₆O
Boiling Point 191.9 °C at 760 mmHg
Molecular Weight 152.236
Flash Point 60.8 °C
Transport Information UN1993
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms HEXYLFURAN, 2-N-;2-N-HEXYLFURAN;2-HEXYLFURAN;Furan, 2-hexyl-
PSA 13.14000
LogP 3.40240

2-Hexylfuran Specification

The 2-Hexylfuran, with CAS registry number 3777-70-6, has the systematic name of 2-hexylfuran. Besides this, it is also called 2-N-hexylfuran. And the chemical formula of this chemical is C₁₀H₁₆O. What's more, its EINECS is 223-235-2.

Physical properties of 2-Hexylfuran: (1)ACD/LogP: 4.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.5; (4)ACD/LogD (pH 7.4): 4.5; (5)ACD/BCF (pH 5.5): 1538.89; (6)ACD/BCF (pH 7.4): 1538.89; (7)ACD/KOC (pH 5.5): 6652.75; (8)ACD/KOC (pH 7.4): 6652.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 13.14 Å²; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 46.63 cm³; (15)Molar Volume: 171 cm³; (16)Polarizability: 18.48×10^-24cm³; (17)Surface Tension: 28.9 dyne/cm; (18)Density: 0.889 g/cm³; (19)Flash Point: 60.8 °C; (20)Enthalpy of Vaporization: 41.05 kJ/mol; (21)Boiling Point: 191.9 °C at 760 mmHg; (22)Vapour Pressure: 0.701 mmHg at 25°C.

Preparation: this chemical can be prepared by dec-2-yn-4-one. This reaction will need reagents CuI, Et₃N and solvent N,N-dimethyl-acetamide. The reaction time is 30 hour(s) with reaction temperature of 130 ℃. The yield is about 63%.

You can still convert the following datas into molecular structure:
(1)SMILES: o1c(ccc1)CCCCCC
(2)InChI: InChI=1/C10H16O/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3
(3)InChIKey: XBLCAKKYMZVLPU-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H16O/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3
(5)Std. InChIKey: XBLCAKKYMZVLPU-UHFFFAOYSA-N

Product Name

2-Hexylfuran

2-Hexylfuran Specification

Related Products

Hot Products