HEXYL ACETATE

The Hexanol, acetate,branched and linear, with CAS registry number 88230-35-7, belongs to the following product categories: (1)Plasticizers; (2)Polymer Additives; (3)Polymer Science. It has the systematic name of hexyl acetate. Its classification codes are TSCA Flag P [A commenced PMN (Premanufacture Notice) substance] and TSCA UVCB. What's more, its EINECS is 205-572-7.

Physical properties of Hexanol, acetate,branched and linear: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 83.88; (6)ACD/BCF (pH 7.4): 83.88; (7)ACD/KOC (pH 5.5): 829.01; (8)ACD/KOC (pH 7.4): 829.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.412; (14)Molar Refractivity: 40.88 cm³; (15)Molar Volume: 164 cm³; (16)Polarizability: 16.2×10^-24cm³; (17)Surface Tension: 27.3 dyne/cm; (18)Density: 0.878 g/cm³; (19)Flash Point: 37.2 °C; (20)Enthalpy of Vaporization: 40.79 kJ/mol; (21)Boiling Point: 171.5 °C at 760 mmHg; (22)Vapour Pressure: 1.39 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Hexanol, acetate,branched and linear is flammable, so keep it away from sources of ignition. And it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release it to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCC)C
(2)InChI: InChI=1/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
(3)InChIKey: AOGQPLXWSUTHQB-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
(5)Std. InChIKey: AOGQPLXWSUTHQB-UHFFFAOYSA-N