Allyl phenoxyacetate

Product Information

Molecular Formula:

C11H12O3

Molecular Weight:

192.21

Description

Allyl Phenoxyacetate is a synthetic flavoring agent that is a stable, colorless to Light yellow liquid of heavy fruit note odor. It should be stored in glass or tin containers. it is used in pineapple, quince, and fruit flavors with applications in candy and beverages at 1-3 ppm.

Synonyms

Acetic acid, 2-phenoxy-, 2-propen-1-yl ester; Acetic acid, phenoxy-, 2-propenyl ester; Acetic acid, phenoxy-, allyl ester; Allyl 2-phenoxyacetate; NSC 408892; 2-Propenyl phenoxyacetate; 2-phenoxyacetic acid prop-2-enyl ester

IUPAC Name

prop-2-enyl 2-phenoxyacetate

Canonical SMILES

C=CCOC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2

InChI Key

VUFZVGQUAVDKMC-UHFFFAOYSA-N

Boiling Point

137°C at 1 Torr

Flash Point

135°C

Purity

≥95%

Density

1.0820 g/cm³

Solubility

Soluble in Water (Practically)

Appearance

Colorless to Almost Colorless Liquid

Storage

Store at 2-8°C under inert gas (nitrogen or Argon)

Refractive Index

1.52

Stability

Stable under normal temperatures and pressures.

LogP

2.607 (est)

Safety Information

Hazards

H311 H302

Precautionary Statement

P501 P270 P264 P280 P361 + P364 P301 + P312 + P330 P302 + P352 + P312 P405

Computed Properties

XLogP3

2.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

192.078644241 g/mol

Monoisotopic Mass

192.078644241 g/mol

Topological Polar Surface Area

35.5Å²

Heavy Atom Count

Formal Charge

Complexity

183

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

Publication Number	Title	Priority Date
CN-113201103-A	Viscosity regulator for oil displacement and preparation method thereof	2021-05-14
JP-2021066754-A	Pharmaceutical composition, incense stick for pest control, and method for enhancing diffusion of insecticidal components using them	2021-02-05
DE-202021100549-U1	Device for the release of volatile substances into the environment	2021-02-03
RU-2752884-C1	Tropical fruits food flavor	2020-12-23
JP-2021043462-A	Wavelength conversion member and its use, backlight unit, and image display device	2020-11-19
WO-2022053140-A1	Surfactant containing formulation of pseudo-ceramides	2020-09-10
WO-2022049624-A1	Wavelength conversion member, backlight unit, and image display device	2020-09-01
WO-2022050229-A1	Wavelength conversion member, backlight unit and image display device	2020-09-01
WO-2022042829-A1	Enrichment of a diastereomer in magnolan	2020-08-25
WO-2022043089-A1	Enrichment of a diastereomer in magnolan	2020-08-25

Literatures

PMID	Publication Date	Title	Journal
16717034	2006-05-01	The effects of vehicles on the human dermal irritation potentials of allyl esters	International journal of toxicology

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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