2,5-Dimethyl-2,5-hexanediol

Inquiry

Molecular Formula:

C8H18O2

Molecular Weight:

146.23

CAS Number:

110-03-2

Catalog Number:

110-03-2

Product Information

Molecular Formula:

C8H18O2

Molecular Weight:

146.23

Description

2,5-Dimethyl-2,5-hexanediol can be found in the use as a reagent for the synthesis of polymers-based micro devices.

Synonyms

2,5-dimethylhexane-2,5-diol

IUPAC Name

2,5-dimethylhexane-2,5-diol

Canonical SMILES

CC(C)(CCC(C)(C)O)O

InChI

InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3

InChI Key

ZWNMRZQYWRLGMM-UHFFFAOYSA-N

Boiling Point

214-215 °C (lit.)

Melting Point

86-90 °C (lit.)

Flash Point

126 °C

Purity

98 %

Density

0.898 g/cm³

Solubility

Sol in water; very sol in alcohol, Hot benzene, Chloroform

Appearance

White crystalline flakes

Application

Used as a chemical intermediate.

Storage

Store below +30 °C.

Refractive Index

1.4429 (estimate)

LogP

1.30840

Safety Information

Hazards

H319

Precautionary Statement

P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, and P362

Signal Word

Danger

Computed Properties

XLogP3

0.8

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

91.8

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-113680378-A	Preparation method for synthesizing 2, 5-dimethyl-2, 4-hexadiene from isobutyraldehyde	2021-09-10
JP-6998490-B1	Ink composition for photocurable inkjet printing	2021-08-30
JP-6960555-B1	Ink composition for active energy ray-curable inkjet	2021-06-29
JP-6930675-B1	Rosin-modified phenolic resin, lithographic printing inks, and printed matter	2021-04-21
JP-6936926-B1	Solder alloys, solder powders, solder pastes, and solder fittings	2021-03-10
CN-112962165-A	Spandex fiber with reversible three-shape memory effect and preparation method and application thereof	2021-01-21
CN-112851905-A	High-temperature-resistant water polyurethane, preparation method thereof, water-based polyurethane adhesive and preparation method thereof	2021-01-11
CN-112663168-A	Spandex fiber with reversible shape memory effect and preparation method and application thereof	2020-12-22
CN-112661946-A	Glue for outer layer of lithium battery aluminum plastic film and synthetic method thereof	2020-12-21
CN-112479918-A	Synthetic method of retinoid derivative Am580	2020-12-11

Literatures

PMID	Publication Date	Title	Journal
21202086	2008-03-12	2,5-Dimethyl-hexane-2,5-diyl bis-(4-nitro-phen-yl) dicarbonate	Acta crystallographica. Section E, Structure reports online

The molarity calculator equation

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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