2,2,4-Trimethyl-1,3-pentanediol

Inquiry

Molecular Formula:

C8H18O2

Molecular Weight:

146.23

CAS Number:

144-19-4

Catalog Number:

144-19-4

Product Information

Molecular Formula:

C8H18O2

Molecular Weight:

146.23

Description

2,2,4-Trimethyl-1,3-pentanediol is a notable organic compound used as an active ingredient in various medications. It has antiviral properties and is primarily being studied for the treatment of viral diseases, including herpes and influenza.

Synonyms

Trimethyl-1,3-pentanediol;1,3-Pentanediol, 2,2,4-trimethyl-

IUPAC Name

2,2,4-trimethylpentane-1,3-diol

Canonical SMILES

CC(C)C(C(C)(C)CO)O

InChI

InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3

InChI Key

JCTXKRPTIMZBJT-UHFFFAOYSA-N

Boiling Point

232 ℃ (lit.)

Melting Point

50-53 ℃ (lit.)

Flash Point

235.4 ℃F - closed cup

Purity

0.97

Density

0.937 g/cm³

Solubility

SOL IN HOT BENZENE

Appearance

White crystalline powder

Application

This product is suitable for scientific research.

Refractive Index

1.45

Vapor Pressure

0.01 [mmHg]

Henry's Law Constant

7.16X10-7 atm-cu m/mole at 25 °C (est)

Safety Information

Hazards

H302 - H315 - H319 - H335

Precautionary Statement

P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

1.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

146.130679813 g/mol

Monoisotopic Mass

146.130679813 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

97.4

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
CN-114031760-A	High-barrier-property high-strength PBAT-PGA (poly (butylene adipate-co-terephthalate) -poly (propylene glycol)) block copolymer biodegradable polyester and preparation method thereof	2022-01-07
CN-114180844-A	Lithium-tellurium-silicon binary glass oxide composite system and conductive paste containing same	2021-12-29
CN-114038608-A	Low-resistivity solar cell conductive paste	2021-12-24
CN-114133911-A	Solvent-free bi-component polyurethane adhesive and application thereof	2021-12-23
CN-114058210-A	Water-based photo-curing ink composition, and preparation method and application thereof	2021-12-21
CN-114133549-A	Fully biodegradable branched aliphatic polycarbonate and preparation method and application thereof	2021-12-10
CN-113963840-A	Low-temperature conductive paste composition and preparation method and application thereof	2021-12-07
CN-114133886-A	Automobile paint surface protective film	2021-12-07
CN-114088252-A	Wall-hitting liquid film calibration device with controllable thickness and temperature	2021-12-03
CN-113861517-A	Konjac glucomannan porous composite membrane, preparation method and application thereof	2021-11-19

Literatures

PMID	Publication Date	Title	Journal
21481276	2011-04-12	Compound C prevents Hypoxia-Inducible Factor-1α protein stabilization by regulating the cellular oxygen availability via interaction with Mitochondrial Complex I	BMC research notes

The molarity calculator equation

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

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)