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| CAS No.: | 26402-22-2 |
|---|---|
| Name: | MONOCAPRIN |
| Molecular Structure: | |
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| Formula: | C13H26O4 |
| Molecular Weight: | 246.30 |
| Synonyms: | Decanoic acid,monoester with 1,2,3-propanetriol;Sunsoft 760;Poem M 300;Sunsoft 767; |
| EINECS: | 247-667-6 |
| Density: | 1.017 g/cm3 |
| Melting Point: | 53 °C |
| Boiling Point: | 369.1 °C at 760 mmHg |
| Flash Point: | 129.6 °C |
| Solubility: | 600mg/L at 33℃ |
| Appearance: | clear semi-solid |
| PSA: | 66.76000 |
| LogP: | 2.02350 |
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Specification
This chemical is called Glyceryl monocaprate, and it's also named as 2,3-Dihydroxypropyl decanoate. With the molecular formula of C13H26O4, its molecular weight is 246.30. The CAS registry number of this chemical is 26402-22-2. Additionally, it should be stored at -20°C.
Other characteristics of the Glyceryl monocaprate can be summarised as followings: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 107.86; (6)ACD/BCF (pH 7.4): 107.86; (7)ACD/KOC (pH 5.5): 992.53; (8)ACD/KOC (pH 7.4): 992.53; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 67.07 cm3; (15)Molar Volume: 241.9 cm3; (16)Polarizability: 26.59×10-24cm3; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.017 g/cm3; (19)Flash Point: 129.6 °C; (20)Enthalpy of Vaporization: 71.27 kJ/mol; (21)Boiling Point: 369.1 °C at 760 mmHg; (22)Vapour Pressure: 5.96E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC(O)CO)CCCCCCCCC
2.InChI: InChI=1/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h12,14-15H,2-11H2,1H3
3.InChIKey: LKUNXBRZDFMZOK-UHFFFAOYAQ