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
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)
Related CAS
863306-60-9 (Deleted CAS)
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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
192.078644241 g/mol
Monoisotopic Mass
192.078644241 g/mol
Topological Polar Surface Area
35.5Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
183
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
