ChemicalBook--->CAS DataBase List--->5421-17-0

5421-17-0

5421-17-0 Structure

5421-17-0 Structure
IdentificationBack Directory
[Name]

FEMA 3457
[CAS]

5421-17-0
[Synonyms]

FEMA 3457
HEXYL ALPHA-TOLUATE
HEXYL PHENYLACETATE
FEMA 3457 USP/EP/BP
n-Hexyl phenylacetate
hexyl 2-phenylacetate
hexyl 2-phenylethanoate
HEXYL PHENYLACETATE 99+%
Benzeneaceticacid,hexylester
PHENYLACETIC ACID, HEXYL ESTER
2-phenylacetic acid hexyl ester
[EINECS(EC#)]

226-537-2
[Molecular Formula]

C14H20O2
[MDL Number]

MFCD00085196
[MOL File]

5421-17-0.mol
[Molecular Weight]

220.31
Chemical PropertiesBack Directory
[Boiling point ]

264-265 °C(lit.)
[density ]

0.97 g/mL at 25 °C(lit.)
[FEMA ]

3457 | HEXYL PHENYLACETATE
[refractive index ]

n20/D 1.485(lit.)
[Fp ]

>230 °F
[solubility ]

Insoluble in water, soluble in alcohol and oils.
[form ]

oily liquid
[color ]

Colorless
[Specific Gravity]

1.01
[Odor]

at 100.00 %. sweet green waxy fruity rose wine foliage
[Odor Type]

green
[JECFA Number]

1015
[LogP]

4.458 (est)
[EPA Substance Registry System]

Benzeneacetic acid, hexyl ester (5421-17-0)
Safety DataBack Directory
[WGK Germany ]

3
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Description]

Hexyl phenylacetate has a sweet-green, fruity-winey odor.
[Chemical Properties]

Hexyl phenylacetate has a sweet-green, fruity-winy odor.
[Occurrence]

Reported found in oil of Crimean white grape, spearmint oil, black tea and muscat grape
[Uses]

Hexyl phenylacetate is occasionally used in perfume compositions.
[Definition]

ChEBI: Hexyl phenylacetate is a member of benzenes.
[Preparation]

by direct csterification of n-Hexanol with Phenylacetic acid under azeotropic conditions.
[Taste threshold values]

Taste characteristics at 15 ppm: fruity, waxy, green, powdery and floral with sweet honey nuances
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 60, p. 745, 1995 DOI: 10.1021/jo00108a048
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