2-Allylcyclohexanone

Inquiry

Molecular Formula:

C9H14O

Molecular Weight:

138.21

CAS Number:

94-66-6

Catalog Number:

94-66-6

Product Information

Molecular Formula:

C9H14O

Molecular Weight:

138.21

Description

2-Allylcyclohexanone (CAS# 94-66-6) is a useful research chemical.

Synonyms

2-prop-2-enylcyclohexan-1-one

IUPAC Name

2-prop-2-enylcyclohexan-1-one

Canonical SMILES

C=CCC1CCCCC1=O

InChI

InChI=1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,8H,1,3-7H2

InChI Key

UPGHEUSRLZSXAE-UHFFFAOYSA-N

Boiling Point

94 °C (23 mmHg)

Purity

97 %

Density

0.927 g/cm³

Appearance

Clear light yellow liquid

Storage

Inert atmosphere, Room Temperature

Refractive Index

1.47

LogP

2.32180

Safety Information

Hazards

H302 + H312 + H332 H315 H319

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

2.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

138.104465066 g/mol

Monoisotopic Mass

138.104465066 g/mol

Topological Polar Surface Area

17.1Å²

Heavy Atom Count

Formal Charge

Complexity

138

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-Allylcyclohexanone

Product Information

Safety Information

Computed Properties

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