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33774-66-2

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Basic Information
CAS No.: 33774-66-2
Name: (+/-)-1,2-DIDECANOYLGLYCEROL
Molecular Structure:
Molecular Structure of 33774-66-2 ((+/-)-1,2-DIDECANOYLGLYCEROL)
Formula: C15H28O5
Molecular Weight: 288.3798
Synonyms: 3-Hydroxypropane-1,2-diyl dihexanoate;
Density: 1.026 g/cm3
Boiling Point: 372 °C at 760 mmHg
Flash Point: 123.7 °C
PSA: 72.83000
LogP: 5.71510
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Specification

The IUPAC name of this product is (2-Hexanoyloxy-3-hydroxy-propyl) hexanoate, and its CAS registry number is 33774-66-2. It is also named as 3-Hydroxypropane-1,2-diyl dihexanoate. This chemical's molecular formula is C15H28O5 and molecular weight is 288.3798.

Physical properties about (2-Hexanoyloxy-3-hydroxy-propyl) hexanoate are: (1)ACD/LogP: 3.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.72; (4)ACD/LogD (pH 7.4): 3.72; (5)ACD/BCF (pH 5.5): 392.46; (6)ACD/BCF (pH 7.4): 392.46; (7)ACD/KOC (pH 5.5): 2501.75; (8)ACD/KOC (pH 7.4): 2501.75; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 76.58 cm3; (15)Molar Volume: 280.9 cm3; (16)Polarizability: 30.36×10-24 cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.026 g/cm3; (19)Flash Point: 123.7 °C; (20)Enthalpy of Vaporization: 71.63 kJ/mol; (21)Boiling Point: 372 °C at 760 mmHg; (22)Vapour Pressure: 4.73E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(COC(=O)CCCCC)CO)CCCCC
(2) InChI: InChI=1/C15H28O5/c1-3-5-7-9-14(17)19-12-13(11-16)20-15(18)10-8-6-4-2/h13,16H,3-12H2,1-2H3
(3) InChIKey: DRUFTGMQJWWIOL-UHFFFAOYAR