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Propylene glycol dicaprylate/dicaprate

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Propylene glycol dicaprylate/dicaprate

EINECS 271-516-3
CAS No. 68583-51-7 Density
Solubility Melting Point
Formula C21H44O6 Boiling Point 269.6 °C at 760 mmHg
Molecular Weight 392.5705 Flash Point 121.8 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 68583-51-7 (Propylene glycol dicaprylate/dicaprate) Hazard Symbols

Decanoic acid, mixed diesters with octanoic acid and propylene glycol;Decansure, gemischte Diester mit Octansure und Propylenglykol;Caprylic, capric acid, propylene glycol diester;


Propylene glycol dicaprylate/dicaprate Specification

The CAS register number of Propylene glycol dicaprylate/dicaprate is 68583-51-7. It also can be called as Decansure, gemischte Diester mit Octansure und Propylenglykol. The molecular formula about this chemical is C21H44O6 and the molecular weight is 392.5705. The IUPAC name about this chemical is decanoic acid; octanoic acid; propane-1,2-diol.

Physical properties about Propylene glycol dicaprylate/dicaprate are: (1)ACD/LogP: 3.97; (2)ACD/LogD (pH 5.5): 3.18; (3)ACD/LogD (pH 7.4): 1.38; (4)ACD/BCF (pH 5.5): 98.61; (5)ACD/BCF (pH 7.4): 1.58; (6)ACD/KOC (pH 5.5): 555.11; (7)ACD/KOC (pH 7.4): 8.92; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 26.3 Å2; (12)Flash Point: 121.8 °C; (13)Enthalpy of Vaporization: 53.63 kJ/mol; (14)Boiling Point: 269.6 °C at 760 mmHg; (15)Vapour Pressure: 0.00355 mmHg at 25 °C; (16)Heavy Atom Count: 27; (17)Complexity: 221; (18)Undefined Atom StereoCenter Count: 1; (19)Covalently-Bonded Unit Count: 3.

You can still convert the following datas into molecular structure:
(2)InChI: InChI=1/C10H20O2.C8H16O2.C3H8O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-3(5)2-4/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);3-5H,2H2,1H3
(4)Std. InChI: InChI=1S/C10H20O2.C8H16O2.C3H8O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-3(5)2-4/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);3-5H,2H2,1H3

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