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| Name |
Pentadecanoic-d29 acid,1,2,3-propanetriyl ester (9CI) |
EINECS | N/A |
| CAS No. | 352431-43-7 | Density | 1.025 g/cm3 |
| PSA | 78.90000 | LogP | 15.25820 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C48H5D87O6 | Boiling Point | 732.07 °C at 760 mmHg |
| Molecular Weight | 852.78 | Flash Point | 278.748 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
pentadecanoic-d29 acid, 1,2,3-propanetriyl ester;Propane-1,2,3-triyl tri(2H29)pentadecanoate;Glyceryl Tri(pentadecanoate-d29); |
Pentadecanoic-d29 acid,1,2,3-propanetriyl ester (9CI) Specification
The Pentadecanoic-d29 acid,1,2,3-propanetriyl ester (9CI), with the CAS registry number 352431-43-7, is also called Glyceryl Tri(pentadecanoate-d29). It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C48H5D87O6.
The characteristics of Pentadecanoic-d29 acid,1,2,3-propanetriyl ester (9CI) are as followings: (1)ACD/LogP: 20.09; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 20.086; (4)ACD/LogD (pH 7.4): 20.086; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 47; (12)Polar Surface Area: 78.9 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 229.71 cm3; (15)Molar Volume: 831.682 cm3; (16)Polarizability: 91.064×10-24cm3; (17)Surface Tension: 34.347 dyne/cm; (18)Density: 1.025 g/cm3; (19)Flash Point: 278.748 °C; (20)Enthalpy of Vaporization: 106.842 kJ/mol; (21)Boiling Point: 732.07 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC(COC(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])OC(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
(2)InChI: InChI=1/C48H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-45(54-48(51)42-39-36-33-30
-27-24-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3/i1D3,2D3,3D3,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,
21D2,22D2,23D2,24D2,25D2,26D2,27D2,28D2,29D2,30D2,31D2,32D2,33D2,34D2,35D2,36D2,37D2,38D2,39D2,40
D2,41D2,42D2
(3)InChIKey: CLJLWABDLPQTHL-LSVDMRBYEA
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