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Poly(oxy-1,2-ethanediyl), .α.-hydro-.omega.-(9Z)-1-oxo-9-octadecenyloxy-, ether with D-glucitol (6:1)

Poly(oxy-1,2-ethanediyl), .α.-hydro-.omega.-(9Z)-1-oxo-9-octadecenyloxy-, ether with D-glucitol (6:1)

Inquiry

Molecular Formula:

C126H230O18

Molecular Weight:

2033.1636

CAS Number:

57171-56-9

Catalog Number:

57171-56-9

Product Information

Molecular Formula:

C126H230O18

Molecular Weight:

2033.1636

Description

Surfactant. Emulsifier for fats and oils.

Synonyms

2-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis[2-[(Z)-octadec-9-enoyl]oxyethoxy]hexoxy]ethyl(Z)-octadec-9-enoate;Sorbeth-12hexaoleate;UNII-F3ECF77W74;Ethoxylatedsorbitol,hexaoleate;Polyoxyethylenesorbitolhexaoleate;Sorbitolhexa(polyoxyethyleneoleate)ether

IUPAC Name

2-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis[2-[(Z)-octadec-9-enoyl]oxyethoxy]hexoxy]ethyl (Z)-octadec-9-enoate

Canonical SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C(C(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCOC(=O)CCCCCCCC=CCCCCCCCC

InChI

InChI=1S/C126H230O18/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-119(127)137-105-103-133-115-117(135-107-109-139-121(129)99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)125(143-113-111-141-123(131)101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)126(144-114-112-142-124(132)102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)118(136-108-110-140-122(130)100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)116-134-104-106-138-120(128)98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2/h49-60,117-118,125-126H,7-48,61-116H2,1-6H3/b55-49-,56-50-,57-51-,58-52-,59-53-,60-54-/t117-,118+,125-,126-/m1/s1

InChI Key

LAIORVRDCREVSA-AMAZOXQHSA-N

Boiling Point

200 °C(lit.)

Flash Point

105.8 °F

Purity

95%

Density

1.03 g/mL at 25 °C (lit.)

Solubility

insoluble in Propylene Glycol

Application

Surfactant.

Refractive Index

1.471 (lit.)

Computed Properties

XLogP3

43.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

125

Exact Mass

2032.71157532 g/mol

Monoisotopic Mass

2031.70822048 g/mol

Topological Polar Surface Area

213Å²

Heavy Atom Count

144

Formal Charge

Complexity

2680

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Poly(oxy-1,2-ethanediyl), .α.-hydro-.omega.-(9Z)-1-oxo-9-octadecenyloxy-, ether with D-glucitol (6:1)

Product Information

Computed Properties

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