2,4-Diethyl-1,5-pentanediol

Inquiry

Molecular Formula:

C9H20O2

Molecular Weight:

160.25

CAS Number:

57987-55-0

Catalog Number:

57987-55-0

Product Information

Molecular Formula:

C9H20O2

Molecular Weight:

160.25

Description

2,4-Diethyl-1,5-pentanediol is a biomedicinal compound chiefly used as a synthesis intermediate for pharmaceuticals. Its primary utilization is in the production of drugs for combating various cardiovascular diseases and certain types of cancer.

Synonyms

2,4-Diethyl-1,5-pentanediol; 3,5-bis-(Hydroxymethyl)heptane

IUPAC Name

2,4-diethylpentane-1,5-diol

Canonical SMILES

CCC(CC(CC)CO)CO

InChI

InChI=1S/C9H20O2/c1-3-8(6-10)5-9(4-2)7-11/h8-11H,3-7H2,1-2H3

InChI Key

OJRJDENLRJHEJO-UHFFFAOYSA-N

Boiling Point

256.9ºC at 760mmHg

Flash Point

143 ℃

Purity

95%

Density

0,95

Appearance

Colorless to Almost colorless clear liquid

Safety Information

Hazards

H318:
Causes serious eye damage.

Precautionary Statement

P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.

Computed Properties

XLogP3

1.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

160.146329876 g/mol

Monoisotopic Mass

160.146329876 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

73.6

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

Patents

Publication Number	Title	Priority Date
US-11028217-B1	Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols	2020-03-13
US-10767004-B1	Tricyclodecane dimethanol composition and uses thereof	2020-01-13
WO-2021125210-A1	Dispersion liquid, liquid composition, and manufacturing methods therefor	2019-12-20
EP-3838891-A1	Aldimines and uses thereof	2019-12-19
WO-2021122594-A1	Aldimines and uses thereof	2019-12-19
WO-2021125024-A1	Curable resin composition, cured object, and three-dimensional object	2019-12-19
WO-2021117764-A1	Compound, method for producing same, resin composition, resin sheet, multilayer printed wiring board, and semiconductor device	2019-12-11
WO-2021112202-A1	Multilayer film, laminate, and airbag	2019-12-06
WO-2021111298-A1	Decorative film and decorative article using same, and surface protective composition	2019-12-05
WO-2021111956-A1	Pressure-sensitive adhesive composition and pressure-sensitive adhesive sheet	2019-12-03

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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