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56002-14-3

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Basic Information
CAS No.: 56002-14-3
Name: PEG 200 MONOISOSTEARATE
Molecular Structure:
Molecular Structure of 56002-14-3 (PEG 200 MONOISOSTEARATE)
Formula: C20H40O3
Molecular Weight: 328.53
Synonyms: 2018LDM;Emalex PEIS 3;Emerest 2625;Emerest 2644;Ethox M 15;Ethox MI 9;LDM 1018;PEIS 20;PEIS 6;Polyethylene glycol isostearate;Polyethylene glycolmonoisostearate;Polyoxyethylene isostearate;Polyoxyethylene monoisostearate;Prisorine 364;Prisorine 3644;Trydet ISA 4;Ethox MI 14;
Density: 0.912 g/cm3
Boiling Point: 434.3 °C at 760 mmHg
Flash Point: 162.5 °C
PSA: 46.53000
LogP: 5.63930
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    PEG 200 MONOISOSTEARATE

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Specification

The Poly(oxy-1,2-ethanediyl),a-(1-oxoisooctadecyl)-w-hydroxy-, with the CAS registry number 56002-14-3, is also known as Isostearic acid, ethoxylated. This chemical's molecular formula is C20H40O3 and molecular weight is 328.53. What's more, its systematic name is 2-hydroxyethyl 16-methylheptadecanoate. Its classification code is: TSCA Flag XU.

Physical properties of Poly(oxy-1,2-ethanediyl),a-(1-oxoisooctadecyl)-w-hydroxy- are: (1)ACD/LogP: 7.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.67; (4)ACD/LogD (pH 7.4): 7.67; (5)ACD/BCF (pH 5.5): 394189.91; (6)ACD/BCF (pH 7.4): 394189.91; (7)ACD/KOC (pH 5.5): 352353.41; (8)ACD/KOC (pH 7.4): 352353.41; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 97.97 cm3; (15)Molar Volume: 360 cm3; (16)Polarizability: 38.84×10-24 cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 0.912 g/cm3; (19)Flash Point: 162.5 °C; (20)Enthalpy of Vaporization: 79.7 kJ/mol; (21)Boiling Point: 434.3 °C at 760 mmHg; (22)Vapour Pressure: 2.3E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCCCCCCCCCCCCCC(=O)OCCO
(2)InChI: InChI=1S/C20H40O3/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(22)23-18-17-21/h19,21H,3-18H2,1-2H3
(3)InChIKey: GTRGFUCVDQMYKO-UHFFFAOYSA-N