Allyl cinnamate

Inquiry

Molecular Formula:

C12H12O2

Molecular Weight:

188.23

CAS Number:

1866-31-5

Catalog Number:

1866-31-5

Product Information

Molecular Formula:

C12H12O2

Molecular Weight:

188.23

Description

Allyl cinnamate is a cinnamate ester.

Synonyms

2-Propenoic acid, 3-phenyl-, 2-propenyl ester, ALLYL CINNAMATE, CINNAMIC ACID, ALLYL ESTER

IUPAC Name

prop-2-enyl (E)-3-phenylprop-2-enoate

Canonical SMILES

C=CCOC(=O)C=CC1=CC=CC=C1

InChI

InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8+

InChI Key

KCMITHMNVLRGJU-CMDGGOBGSA-N

Boiling Point

272.90 C (EPI 4.0)

Flash Point

156 °C

Purity

98.0%

Density

1.06

Solubility

Insoluble in water; soluble in alcohol.

Appearance

colorless to light yellow liquid

Shelf Life

60 months from manufacture date

Storage

Store tightly sealed under inert gas in a cool, well-ventilated area.

Refractive Index

1.565 : 1.569 at 20 deg C

Safety Information

Hazards

H302

Precautionary Statement

P501 P270 P264 P301 + P312 + P330

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

188.083729621 g/mol

Monoisotopic Mass

188.083729621 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

212

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

Patents

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WO-2020239954-A1	Arthropod control compositions	2019-05-31

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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Volume _(start)

Concentration _(final)

Volume _(final)