Basic Information | Post buying leads | Suppliers |
Name |
(2-Hexanoyloxy-3-hydroxy-propyl) hexanoate |
EINECS | N/A |
CAS No. | 33774-66-2 | Density | 1.026 g/cm3 |
PSA | 72.83000 | LogP | 5.71510 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H28O5 | Boiling Point | 372 °C at 760 mmHg |
Molecular Weight | 288.3798 | Flash Point | 123.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Hydroxypropane-1,2-diyl dihexanoate; |
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