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26446-31-1

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Basic Information
CAS No.: 26446-31-1
Name: Glycerol 5-hydroxydecanoate
Molecular Structure:
Molecular Structure of 26446-31-1 (Glycerol 5-hydroxydecanoate)
Formula: C13H26O5
Molecular Weight: 262.34
Synonyms: Decanoic acid, 5-hydroxy-, monoester with 1,2,3-propanetriol;Glyeryl 5-hydroxydecanoate;Glyceryl 5-hydroxydecanoate;2,3-dihydroxypropyl 5-hydroxydecanoate;1,2,3-Propanetriol mono(5-hydroxydecanoate);Glycerol, mono(5-hydroxydecanoate);5-Hydroxydecanoic acid, monoester with glycerol;FEMA No. 3685;Decanoic acid, 5-hydroxy-, monoester with glycerol;Glyceryl mono(5-hydroxydecanoate);
EINECS: 247-699-0
Density: 1.093 g/cm3
Boiling Point: 413.4 °C at 760 mmHg
Flash Point: 148.1 °C
PSA: 86.99000
LogP: 0.99430
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Specification

The Glycerol 5-hydroxydecanoate, with the CAS registry number 26446-31-1 and EINECS registry number 247-699-0, has the systematic name and IUPAC name of 2,3-dihydroxypropyl 5-hydroxydecanoate. And the molecular formula of the chemical is C13H26O5.

The characteristics of Glycerol 5-hydroxydecanoate are as followings: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 15; (6)Polar Surface Area: 53.99 Å2; (7)Index of Refraction: 1.483; (8)Molar Refractivity: 68.57 cm3; (9)Molar Volume: 239.8 cm3; (10)Polarizability: 27.18×10-24cm3; (11)Surface Tension: 44.3 dyne/cm; (12)Density: 1.093 g/cm3; (13)Flash Point: 148.1 °C; (14)Enthalpy of Vaporization: 76.97 kJ/mol; (15)Boiling Point: 413.4 °C at 760 mmHg; (16)Vapour Pressure: 1.46E-08 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC(O)CO)CCCC(O)CCCCC
(2)InChI: InChI=1/C13H26O5/c1-2-3-4-6-11(15)7-5-8-13(17)18-10-12(16)9-14/h11-12,14-16H,2-10H2,1H3
(3)InChIKey: ILJDYMFZBMWGGZ-UHFFFAOYAC