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Allyl phenoxyacetate

Catalog Number
ACM7493745
CAS Number
7493-74-5
Product Name
Allyl phenoxyacetate
Structure
Category
Monomers
Synonyms
Acetic acid, phenoxy-, 2-propenyl ester
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.
IUPAC Name
Prop-2-enyl 2-phenoxyacetate
Molecular Weight
192.21
Molecular Formula
C11H12O3
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
265-266 °C
Flash Point
>230 °F
Purity
98%+
Density
1.102 g/mL at 25 °C(lit.)
Appearance
Colorless liquid
Assay
0.99
Complexity
183
Covalently-Bonded Unit Count
1
EC Number
231-335-2
Exact Mass
192.078644241
Formal Charge
0
Heavy Atom Count
14
MeSH Entry Terms
allyl phenoxyacetate
Monoisotopic Mass
192.078644241
NSC Number
408892
Odor
Honey/pineapple odor
Packaging
25 kg/DRUMS
Refractive Index
n20/D 1.516(lit.)
Rotatable Bond Count
6
Stability
Stable under normal temperatures and pressures.
Storage Conditions
Inert atmosphere,2-8 °C
Topological Polar Surface Area
35.5 Ų
UNII
Q3P8UAF9WE
XLogP3
2.1
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