1-O-Hexyl-2,3,5-trimethylhydroquinone

Inquiry

Molecular Formula:

C15H24O2

Molecular Weight:

236.35

CAS Number:

148081-72-5

Catalog Number:

148081-72-5

Product Information

Molecular Formula:

C15H24O2

Molecular Weight:

236.35

Description

Hx 1171 is under investigation in clinical trial NCT01548391 (A Phase I Clinical Study Study of the Safety, Tolerability, and Pharmacokinetics of HX-1171 in Healthy Male Subjects).

Synonyms

HTHQ; 4-Hexyloxy-2,3,6-trimethylphenol; 4-(Hexyloxy)-2,3,6-trimethyl-phenol;

IUPAC Name

4-hexoxy-2,3,6-trimethylphenol

Canonical SMILES

CCCCCCOC1=C(C(=C(C(=C1)C)O)C)C

InChI

InChI=1S/C15H24O2/c1-5-6-7-8-9-17-14-10-11(2)15(16)13(4)12(14)3/h10,16H,5-9H2,1-4H3

InChI Key

ATMNQRRJNBCQJO-UHFFFAOYSA-N

Melting Point

75 °C

Flash Point

154.4°C

Purity

>95.0%(GC)

Density

0.971 g/cm³

Solubility

water, 1.475 mg/L @ 25 °C (est)

Appearance

Pale Yellow Low Melting Solid

Application

A novel phenolic antioxidant that showed strong antimutagenic activity against eight carcinogenic heterocyclic amines (HCA), produced during cooking processes. Its antimutagenic activity appeared to inhibit both metabolic activation of HCA and action on

Grade

Industrial grade

Refractive Index

1.507

Computed Properties

XLogP3

4.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

236.177630004 g/mol

Monoisotopic Mass

236.177630004 g/mol

Topological Polar Surface Area

29.5Å²

Heavy Atom Count

Formal Charge

Complexity

205

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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1-O-Hexyl-2,3,5-trimethylhydroquinone

Product Information

Computed Properties

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