1,18-Octadecanediol

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Molecular Formula:

C18H38O2

Molecular Weight:

286.5

CAS Number:

3155-43-9

Catalog Number:

B2703-178973

Catalog Number	Size	Price	Stock	Quantity
B2703-178973	2 g	$439	In stock

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Product Information

Molecular Formula:

C18H38O2

Molecular Weight:

286.5

Description

1,18-Octadecanediol is a natural lipid found in the herb of Spartium japonicum.

Synonyms

Octadecane-1,18-diol

IUPAC Name

octadecane-1,18-diol

Canonical SMILES

C(CCCCCCCCCO)CCCCCCCCO

InChI

InChI=1S/C18H38O2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h19-20H,1-18H2

InChI Key

LUUFSCNUZAYHAT-UHFFFAOYSA-N

Boiling Point

323.59°C (rough estimate)

Melting Point

91°C

Purity

>95%

Density

0.893g/cm3

Appearance

Powder

Refractive Index

1.4827 (estimate)

QC Data

HNMR

Computed Properties

XLogP3

6.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

286.287180451 g/mol

Monoisotopic Mass

286.287180451 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

142

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

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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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1,18-Octadecanediol

Product Information

QC Data

Computed Properties

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