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3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanoic Acid

3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanoic Acid

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Molecular Formula:

C17H26O3

Molecular Weight:

278.39

CAS Number:

20170-32-5

Catalog Number:

20170-32-5

Product Information

Molecular Formula:

C17H26O3

Molecular Weight:

278.39

Description

3,5-Di-tert-butyl-4-hydroxyphenylpropionic Acid acts as a new oxazole-pyrone antimicrobial agent. Inhibits electron transport in complex 1 of the respiratory chain. HIV-1 inihibitor.

Synonyms

3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid; 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid

IUPAC Name

3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid

Canonical SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O

InChI

InChI=1S/C17H26O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h9-10,20H,7-8H2,1-6H3,(H,18,19)

InChI Key

WPMYUUITDBHVQZ-UHFFFAOYSA-N

Boiling Point

364.3 °C at 760 mmHg

Melting Point

174 °C

Purity

> 98.0 % (GC) (T)

Density

1.049 g/cm³

Appearance

White to almost white powder to crystal

LogP

4.00440

Safety Information

Hazards

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

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

4.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

278.18819469 g/mol

Monoisotopic Mass

278.18819469 g/mol

Topological Polar Surface Area

57.5Å²

Heavy Atom Count

Formal Charge

Complexity

311

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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3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanoic Acid

Product Information

Safety Information

Computed Properties

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