Hexadecanedioic Acid

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Molecular Formula:

C16H30O4

Molecular Weight:

286.41

CAS Number:

505-54-4

Catalog Number:

505-54-4

Product Information

Molecular Formula:

C16H30O4

Molecular Weight:

286.41

Description

Hexadecanedioic Acid (CAS# 505-54-4) is a useful research intermediate for the studies of blood pressure regulations in humans. Hexadecandedioate works in collaboration with SLCO1B1 as a potential therapy for statin.

Synonyms

hexadecanedioic acid; hexadecanedioic acid

IUPAC Name

hexadecanedioic acid

Canonical SMILES

C(CCCCCCCC(=O)O)CCCCCCC(=O)O

InChI

InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)

InChI Key

QQHJDPROMQRDLA-UHFFFAOYSA-N

Boiling Point

451.08 °C (rough estimate)

Melting Point

120-123 °C (lit.)

Flash Point

244.6°C

Purity

> 97.0 % (GC) (T)

Density

1.0351 (rou gh estimate)

Solubility

1.494 mg/L at 25 °C (est)

Appearance

White to almost white powder to crystal

Application

This product is suitable for scientific research.

Storage

2-8 °C

Refractive Index

1.4485 (estimate)

Stability

Stable. Incompatible with bases, oxidizing agents, reducing agents. Combustible.

LogP

4.61700

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Signal Word

Warning

Computed Properties

XLogP3

5.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

286.21440943 g/mol

Monoisotopic Mass

286.21440943 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

225

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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Hexadecanedioic Acid

Product Information

Safety Information

Computed Properties

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