Octanoic acid,1,1'-[(1S)-1-(hydroxymethyl)-1,2-ethanediyl] ester supplier

Name
1,2-DIOCTANOYL-SN-GLYCEROL
EINECS
CAS No. 60514-48-9
Article Data17
CAS DataBase
Density 0.992 g/cm³
Solubility DMSO: soluble in water
Melting Point
Formula C₁₉H₃₆O₅
Boiling Point 429.1 °C at 760 mmHg
Molecular Weight 344.4861
Flash Point 136.8 °C
Transport Information
Appearance Off-White Solid
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Octanoicacid, (1S)-1-(hydroxymethyl)-1,2-ethanediyl ester (9CI);Octanoic acid,1-(hydroxymethyl)-1,2-ethanediyl ester, (S)-;1,2-Dioctanoyl-sn-glycerol;sn-1,2-Dioctanoylglycerol;
PSA 72.83000
LogP 4.15470

Octanoic acid,1,1'-[(1S)-1-(hydroxymethyl)-1,2-ethanediyl] ester Specification

The Octanoic acid,1,1'-[(1S)-1-(hydroxymethyl)-1,2-ethanediyl] ester, with CAS registry number 60514-48-9, belongs to the following product categories: (1)Mixed Fatty Acids; (2)Fatty Acid Derivatives & Lipids; (3)Glycerols; (4)Protein Kinase Inhibitors and Activators. It has the systematic name of (2S)-3-hydroxypropane-1,2-diyl dioctanoate. This chemical is a kind of off-white solid. When use this chemical, do not breathe vapour and avoid contact with skin and eyes.

Physical properties of Octanoic acid,1,1'-[(1S)-1-(hydroxymethyl)-1,2-ethanediyl] ester: (1)ACD/LogP: 5.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.84; (4)ACD/LogD (pH 7.4): 5.84; (5)ACD/BCF (pH 5.5): 16184.52; (6)ACD/BCF (pH 7.4): 16184.52; (7)ACD/KOC (pH 5.5): 35847.68; (8)ACD/KOC (pH 7.4): 35847.68; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 95.11 cm³; (15)Molar Volume: 347 cm³; (16)Polarizability: 37.7×10^-24cm³; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 0.992 g/cm³; (19)Flash Point: 136.8 °C; (20)Enthalpy of Vaporization: 79.02 kJ/mol; (21)Boiling Point: 429.1 °C at 760 mmHg; (22)Vapour Pressure: 3.65E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@H](COC(=O)CCCCCCC)CO)CCCCCCC
(2)InChI: InChI=1/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1
(3)InChIKey: ZQBULZYTDGUSSK-KRWDZBQOBU
(4)Std. InChI: InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1
(5)Std. InChIKey: ZQBULZYTDGUSSK-KRWDZBQOSA-N

Product Name

1,2-DIOCTANOYL-SN-GLYCEROL

Octanoic acid,1,1'-[(1S)-1-(hydroxymethyl)-1,2-ethanediyl] ester Specification

Related Products

Hot Products