CAS No.68583-51-7,Decanoic acid, mixed diesters with octanoic acid and propylene glycol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68583-51-7
Name:	Decanoic acid, mixed diesters with octanoic acid and propylene glycol

Formula:	C₂₁H₄₄O₆
Molecular Weight:	392.5705
Synonyms:	Decanoic acid, mixed diesters with octanoic acid and propylene glycol;Decansure, gemischte Diester mit Octansure und Propylenglykol;Caprylic, capric acid, propylene glycol diester;
EINECS:	271-516-3
Boiling Point:	269.6 °C at 760 mmHg
Flash Point:	121.8 °C
PSA:	132.86000
LogP:	8.44270

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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:
(1)SMILES: O=C(O)CCCCCCCCC.O=C(O)CCCCCCC.OCC(O)
(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
(3)InChIKey: YZWQUQVFVLJWCS-UHFFFAOYAN
(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
(5)Std. InChIKey: YZWQUQVFVLJWCS-UHFFFAOYSA-N