2-Hydroxy-2-methyl-1-phenyl propanone

Inquiry

Molecular Formula:

C10H12O2

Molecular Weight:

162.20

CAS Number:

7473-98-5

Catalog Number:

7473-98-5

Product Information

Molecular Formula:

C10H12O2

Molecular Weight:

162.20

Description

4'-Hydroxyacetophenone has been used as ketone component in the preparation of 1-aryl-3-phenethylamino-1-propanone hydrochlorides, potential cytotoxic agents, via Mannich reactions.

Synonyms

2-Hydroxy-2-methylpropiophenone; benzoyl isopropanol; 1-Propanone, 2-hydroxy-2-methyl-1-phenyl-

IUPAC Name

2-hydroxy-2-methyl-1-phenylpropan-1-one

Canonical SMILES

CC(C)(C(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3

InChI Key

XMLYCEVDHLAQEL-UHFFFAOYSA-N

Boiling Point

80-81 °C

Melting Point

4 °C

Flash Point

251.6 °F

Purity

95 %

Density

1.077 g/mL

Solubility

water, 2.534e+004 mg/L @ 25 °C (est)

Appearance

Clear to pale yellow liquid

Application

This product is suitable for scientific research.

Refractive Index

n20/D 1.533 (lit.)

Safety Information

Hazards

H302:
Harmful if swallowed.

Precautionary Statement

P264:
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P301+P312+P330:
IF SWALLOWED:
Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

1.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

164.083729621 g/mol

Monoisotopic Mass

164.083729621 g/mol

Topological Polar Surface Area

37.3Å²

Heavy Atom Count

Formal Charge

Complexity

167

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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2-Hydroxy-2-methyl-1-phenyl propanone

Product Information

Safety Information

Computed Properties

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