Isobutyl Cinnamate

Inquiry

Molecular Formula:

C13H16O2

Molecular Weight:

204.26

CAS Number:

122-67-8

Catalog Number:

122-67-8

Product Information

Molecular Formula:

C13H16O2

Molecular Weight:

204.26

Description

Isobutyl Cinnamate (CAS# 122-67-8) is a useful research chemical.

Synonyms

(E)-3-phenyl-2-propenoic acid 2-methylpropyl ester; 2-methylpropyl (E)-3-phenylprop-2-enoate

IUPAC Name

2-methylpropyl (E)-3-phenylprop-2-enoate

Canonical SMILES

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

InChI

InChI=1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+

InChI Key

IQZUZPKOFSOVET-CMDGGOBGSA-N

Boiling Point

287 ℃ (lit.)

Flash Point

113 °C(235.4 °F)

Purity

≥ 98 %

Density

1 g/mL at 25 ℃ (lit.)

Solubility

water, 25.75 mg/L @ 25 °C (est)

Appearance

Colorless to pale yellow clear liquid (est)

Application

This product is suitable for scientific research.

Refractive Index

1.54 (lit.)

LogP

2.89900

Computed Properties

XLogP3

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

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

213

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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Isobutyl Cinnamate

Product Information

Computed Properties

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