1-Hydroxycyclohexyl Phenyl Ketone

Inquiry

Molecular Formula:

C13H16O2

Molecular Weight:

204.26

CAS Number:

947-19-3

Catalog Number:

947-19-3

Product Information

Molecular Formula:

C13H16O2

Molecular Weight:

204.26

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

(1-hydroxycyclohexyl)-phenylmethanone; (1-hydroxycyclohexyl)-phenylmethanone

IUPAC Name

(1-hydroxycyclohexyl)-phenylmethanone

Canonical SMILES

C1CCC(CC1)(C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2

InChI Key

QNODIIQQMGDSEF-UHFFFAOYSA-N

Boiling Point

175 °C (15 mmHg)

Melting Point

47-50 °C

Flash Point

164 °C

Purity

98 %

Density

1.17 g/cm³

Appearance

White crystalline powder

Application

This product is suitable for scientific research.

Storage

Inert atmosphere, Room Temperature

Refractive Index

n20/D 1.475 (lit.)

LogP

2.56450

Safety Information

Hazards

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

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

2.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

204.115029749 g/mol

Monoisotopic Mass

204.115029749 g/mol

Topological Polar Surface Area

37.3Å²

Heavy Atom Count

Formal Charge

Complexity

223

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-Hydroxycyclohexyl Phenyl Ketone

Product Information

Safety Information

Computed Properties

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