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α-D-Glucopyranoside, octyl

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Name

α-D-Glucopyranoside, octyl

EINECS N/A
CAS No. 29781-80-4 Density 1.18 g/cm3
PSA 99.38000 LogP 0.16340
Solubility N/A Melting Point 110-112oC
Formula C14H28O6 Boiling Point 454.1 °C at 760 mmHg
Molecular Weight 292.373 Flash Point 228.4 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 29781-80-4 (N-OCTYL ALPHA-D-GLUCOPYRANOSIDE) Hazard Symbols N/A
Synonyms

Glucopyranoside,octyl, a-D- (8CI);1-O-Octyl-a-D-glucopyranoside;1-Octyl a-D-glucopyranoside;Octyl a-D-glucopyranoside;Octyl a-D-glucoside;Octyl a-glucoside;n-Octyl a-D-glucopyranoside;a-1-n-Octyl-D-glucopyranoside;octyl alpha-D-glucopyranoside;

Article Data 20

α-D-Glucopyranoside, octyl Specification

The α-D-Glucopyranoside, octyl, with the CAS registry number 29781-80-4, has the systematic name of octyl alpha-D-glucopyranoside. It is a kind of white powder, and belongs to the following product categories: 13C & 2H Sugars; Carbohydrates & Derivatives; Detergents. And the molecular formula of the chemical is C14H28O6. What's more, it should be stored at -20°C.

The characteristics of α-D-Glucopyranoside, octyl are as followings: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 13; (6)Polar Surface Area: 55.38 Å2; (7)Index of Refraction: 1.515; (8)Molar Refractivity: 74.33 cm3; (9)Molar Volume: 246.2 cm3; (10)Polarizability: 29.46×10-24cm3; (11)Surface Tension: 51.5 dyne/cm; (12)Density: 1.18 g/cm3; (13)Flash Point: 228.4 °C; (14)Enthalpy of Vaporization: 82.32 kJ/mol; (15)Boiling Point: 454.1 °C at 760 mmHg; (16)Vapour Pressure: 3.72E-10 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(CCCCCCCC)[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
(2)InChI: InChI=1/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1
(3)InChIKey: HEGSGKPQLMEBJL-RGDJUOJXBZ

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