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1,3-Propanediol,2-(octadecyloxy)-

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Name

1,3-Propanediol,2-(octadecyloxy)-

EINECS N/A
CAS No. 927-18-4 Density 0.914 g/cm3
PSA 49.69000 LogP 5.61770
Solubility N/A Melting Point N/A
Formula C21H44O3 Boiling Point 465.9 °C at 760 mmHg
Molecular Weight 344.579 Flash Point 235.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 927-18-4 (2-(Octadecyloxy)-1,3-propanediol) Hazard Symbols N/A
Synonyms

2-Batylalcohol;2-O-Octadecylglycerol;2-Octadecyl glyceryl ether;b-Batyl alcohol;2-(octadecyloxy)propane-1,3-diol;Glycerine 2-monostearyl ether;

Article Data 1

1,3-Propanediol,2-(octadecyloxy)- Specification

The 1,3-Propanediol,2-(octadecyloxy)-, with the CAS registry number 927-18-4, has the systematic name of 2-(octadecyloxy)propane-1,3-diol. It is a kind of organics, and shoud be stored in the dry and cool environment. And the molecular formula of the chemical is C21H44O3.

The characteristics of 1,3-Propanediol,2-(octadecyloxy)- are as followings: (1)ACD/LogP: 7.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.96; (4)ACD/LogD (pH 7.4): 7.96; (5)ACD/BCF (pH 5.5): 657415.75; (6)ACD/BCF (pH 7.4): 657415.75; (7)ACD/KOC (pH 5.5): 508136.41; (8)ACD/KOC (pH 7.4): 508136.41; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 104.11 cm3; (15)Molar Volume: 376.9 cm3; (16)Polarizability: 41.27×10-24cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 0.914 g/cm3; (19)Flash Point: 235.6 °C; (20)Enthalpy of Vaporization: 83.9 kJ/mol; (21)Boiling Point: 465.9 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-10 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCC(OCCCCCCCCCCCCCCCCCC)CO
(2)InChI: InChI=1/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21(19-22)20-23/h21-23H,2-20H2,1H3
(3)InChIKey: YGDQPIRPQXPCJT-UHFFFAOYAH

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