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The 2-Hexen-1-ol, 1-acetate, with CAS registry number 10094-40-3, has the systematic name of hex-2-en-1-yl acetate. Besides this, it is also called Hex-2-enylacetate(isomerunspecified). And the chemical formula of this chemical is C8H14O2. What's more, its EINECS is 233-223-9.
Physical properties of 2-Hexen-1-ol, 1-acetate: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 53.78; (6)ACD/BCF (pH 7.4): 53.78; (7)ACD/KOC (pH 5.5): 603.09; (8)ACD/KOC (pH 7.4): 603.09; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 40.94 cm3; (15)Molar Volume: 157.6 cm3; (16)Polarizability: 16.23×10-24cm3; (17)Surface Tension: 27.8 dyne/cm; (18)Density: 0.901 g/cm3; (19)Flash Point: 58.3 °C; (20)Enthalpy of Vaporization: 40.2 kJ/mol; (21)Boiling Point: 165.5 °C at 760 mmHg; (22)Vapour Pressure: 1.87 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC=CCCC)C
(2)InChI: InChI=1/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3
(3)InChIKey: HRHOWZHRCRZVCU-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3
(5)Std. InChIKey: HRHOWZHRCRZVCU-UHFFFAOYSA-N