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506-03-6

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Basic Information
CAS No.: 506-03-6
Name: 1-O-HEXADECYL-SN-GLYCEROL
Article Data: 26
Molecular Structure:
Molecular Structure of 506-03-6 (1-O-HEXADECYL-SN-GLYCEROL)
Formula: C19H40O3
Molecular Weight: 316.525
Synonyms: 1,2-Propanediol,3-(hexadecyloxy)-, (S)- (8CI);(S)-(+)-Chimyl alcohol;1-Hexadecyl-sn-glycerol;1-O-Hexadecyl-sn-glycerol;Chimyl alcohol;Nikkol Chimyl Alcohol 100;Testriol;α-Chimyl alcohol;(S)-3-(hexadecyloxy)propane-1,2-diol;
EINECS: 208-026-6
Density: 0.92 g/cm3
Melting Point: 64°
Boiling Point: 445.2 °C at 760 mmHg
Flash Point: 223 °C
PSA: 49.69000
LogP: 4.83750
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Specification

The 1,2-Propanediol,3-(hexadecyloxy)-, (2S)-, with the CAS registry number 506-03-6, is also known as (S)-3-(hexadecyloxy)propane-1,2-diol. Its EINECS number is 208-026-6. This chemical's molecular formula is C19H40O3 and molecular weight is 316.52. What's more, its systematic name is 3-(hexadecyloxy)propane-1,2-diol. Its storage temperature is -15 °C. The product should be sealed and stored in cool, ventilated and dry places. It should be protected from oxidizers.

Physical properties of 1,2-Propanediol,3-(hexadecyloxy)-, (2S)- are: (1)ACD/LogP: 6.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.67; (4)ACD/LogD (pH 7.4): 6.67; (5)ACD/BCF (pH 5.5): 69447.81; (6)ACD/BCF (pH 7.4): 69447.74; (7)ACD/KOC (pH 5.5): 101681; (8)ACD/KOC (pH 7.4): 101680.89; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 94.84 cm3; (15)Molar Volume: 343.9 cm3; (16)Polarizability: 37.6×10-24cm3; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 0.92 g/cm3; (19)Flash Point: 223 °C; (20)Enthalpy of Vaporization: 81.14 kJ/mol; (21)Boiling Point: 445.2 °C at 760 mmHg; (22)Vapour Pressure: 8.52E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(CO)COCCCCCCCCCCCCCCCC
(2)InChI: InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h19-21H,2-18H2,1H3
(3)InChIKey: OOWQBDFWEXAXPB-UHFFFAOYSA-N