Decanoic acid, 2,3-dihydroxypropyl ester supplier

Name
MONOCAPRIN
EINECS 247-667-6
CAS No. 2277-23-8
Article Data5
CAS DataBase
Density 1.017 g/cm³
Solubility
Melting Point 51.4 °C
Formula C₁₃H₂₆O₄
Boiling Point 369.1 °C at 760 mmHg
Molecular Weight 246.347
Flash Point 129.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Decanoin,1-mono- (6CI,7CI,8CI);2,3-Dihydroxypropyl decanoate;1-Decanoylglycerol;1-Monocaprin;1-Monodecanoylglycerol;Capric acid a-monoglyceride;Capryl monoglyceride;Decanoic acid 1-monoglyceride;Decanoic acid a-monoglyceride;Glycerol1-monodecanoate;a-Monocaprin;UNII-197M6VFC1W;
PSA 66.76000
LogP 2.02350

Decanoic acid, 2,3-dihydroxypropyl ester Specification

The Decanoic acid, 2,3-dihydroxypropyl ester, with the CAS registry number 2277-23-8, is also known as Glycerol1-monodecanoate. This chemical's molecular formula is C₁₃H₂₆O₄ and molecular weight is 246.34. What's more, its systematic name is 2,3-dihydroxypropyl decanoate.

Physical properties of Decanoic acid, 2,3-dihydroxypropyl ester are: (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)Canonical SMILES: CCCCCCCCCC(=O)OCC(CO)O
(2)InChI: InChI=1S/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-UHFFFAOYSA-N

Product Name

MONOCAPRIN

Decanoic acid, 2,3-dihydroxypropyl ester Specification

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