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5457-70-5

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5457-70-5 Structure

5457-70-5 Structure
IdentificationBack Directory
[Name]

FEMA 3222
[CAS]

5457-70-5
[Synonyms]

FEMA 3222
Ethyl bitterness
PHENETHYL CAPRYLATE
PHENETHYL OCTANOATE
FEMA 3222 USP/EP/BP
Phenethyl n-Octanoate
PHENYLETHYL OCTANOATE
PHENYLETHYL-CAPRYLATE
2-Phenethyl octanoate
2-Phenylethyl octanoate
2-PHENYLETHYL CAPRYLATE
Phenylethyl n-octanoate
PHENETHYL OCTANOATE 99+%
2-Phenyl ethyl-n-octanoate
Octanoic acid, phenethyl ester
PHENYLETHYL OCTANOATE, NATURAL
Octanoicacid,2-phenylethylester
n-Octanoic Acid Phenethyl Ester
2-Phenylethyln-Octanoate
Octanoic acid phenyl ethyl ester
Octanoic acid, 2-phenylethyl ester
n-Octanoic Acid 2-Phenylethyl Ester
[EINECS(EC#)]

226-718-6
[Molecular Formula]

C16H24O2
[MDL Number]

MFCD00209536
[MOL File]

5457-70-5.mol
[Molecular Weight]

248.36
Chemical PropertiesBack Directory
[Boiling point ]

295-296 °C(lit.)
[density ]

0.947 g/mL at 25 °C(lit.)
[FEMA ]

3222 | PHENETHYL OCTANOATE
[refractive index ]

n20/D 1.483(lit.)
[Fp ]

>230 °F
[form ]

clear liquid
[color ]

Colorless to Light yellow to Light orange
[Odor]

at 100.00 %. sweet waxy green cocoa fruity
[biological source]

synthetic
[Odor Type]

waxy
[JECFA Number]

996
[LogP]

5.49
[EPA Substance Registry System]

2-Phenylethyl octanoate (5457-70-5)
Safety DataBack Directory
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

2915.90.2000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Phenethyl alcohol-->Octanoic acid
Hazard InformationBack Directory
[Chemical Properties]

Phenethyl octanoate has a mild, fruity, wine-like odor.
[Occurrence]

Reported found in beer, rum, cider, white wine, port wine and botrytised wine.
[Uses]

flavors and fragrances
[Definition]

ChEBI: 2-Phenylethyl octanoate is a fatty acid ester.
[Taste threshold values]

Taste characteristics at 10 to 20 ppm: sweet, fruity, creamy and slightly lactonic with floral nuances.
[Synthesis]

FEMA 3222 is prepared by fractionation of Sulfate Turpentine or neutral Turpentine. It has also been made by isomerization of beta-Pinene.
Spectrum DetailBack Directory
[Spectrum Detail]

FEMA 3222(5457-70-5)1HNMR
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