ALLYL BENZOATE

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Molecular Formula:

C10H10O2

Molecular Weight:

162.19

CAS Number:

583-04-0

Catalog Number:

583-04-0

Product Information

Molecular Formula:

C10H10O2

Molecular Weight:

162.19

Description

Allyl benzoate is a benzoate ester.

Synonyms

BENZOIC ACID ALLYL ESTER; ALLYL BENZOATE; 2-Propenyl benzoate; benzoicacid,2-propenylester; Allylbenzoate,97%; prop-2-enyl benzoate

IUPAC Name

prop-2-enyl benzoate

Canonical SMILES

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

InChI

InChI=1S/C10H10O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7H,1,8H2

InChI Key

LYJHVEDILOKZCG-UHFFFAOYSA-N

Boiling Point

242 ℃

Purity

>98.0%(GC)

Density

1.05

Solubility

348.1 mg/L at 25 °C (est)

Appearance

Colorless to Light yellow to Light orange clear liquid

Refractive Index

1.52

LogP

3.024 (est)

Computed Properties

XLogP3

2.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

162.068079557 g/mol

Monoisotopic Mass

162.068079557 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

157

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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ALLYL BENZOATE

Product Information

Computed Properties

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