5421-17-0

Basic information

• Product Name: FEMA 3457
• Synonyms: Benzeneaceticacid,hexylester;n-Hexyl phenylacetate;HEXYL ALPHA-TOLUATE;HEXYL PHENYLACETATE;FEMA 3457;PHENYLACETIC ACID, HEXYL ESTER;HEXYL PHENYLACETATE 99+%;2-phenylacetic acid hexyl ester
• CAS NO: 5421-17-0
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.31
• EINECS: 226-537-2
• Product Categories: Alphabetical Listings;Flavors and Fragrances;G-H
• Mol File: 5421-17-0.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 264-265 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 0.97 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00132mmHg at 25°C
• Refractive Index: n20/D 1.485(lit.)
• CAS DataBase Reference: FEMA 3457(CAS DataBase Reference)
• NIST Chemistry Reference: FEMA 3457(5421-17-0)
• EPA Substance Registry System: FEMA 3457(5421-17-0)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 5421-17-0(Hazardous Substances Data)

Usage

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

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

InChI:InChI=1/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3

Upstream product

• 140-29-4 phenylacetonitrile 
• 111-27-3 hexan-1-ol 
• 103-80-0 phenylacetyl chloride 
• 101-97-3 Ethyl 2-phenylethanoate 
• 103-82-2 phenylacetic acid 
• 101-41-7 benzeneacetic acid methyl ester 
• 1007398-53-9 1-hexyl-3-methylimidazolium α-phenylacetate 
• 16156-50-6 n-hexyl methanesulfonate 
• 3295-94-1 hexyl 2-propenyl ether 

Relevant articles and documents

Epoxide as precatalyst for metal-free catalytic transesterification

Transesterification of methyl esters was accelerated by an in situ-generated metal-free catalyst comprising a quaternary alkylammonium salt and an epoxide. The combination of a quaternary alkylammonium acetate and glycidol is optimal, and various esters were synthesized from methyl esters with alcohols in good to excellent yield. Analysis of the catalyst solution revealed that basic species are generated by the ring-opening reaction of epoxide.

Preparation, characterisation and evaluation of brazilian clay-based catalysts for use in esterification reactions

Natural Brazilian clay-based catalysts were prepared, characterised, and their catalytic activity was assessed in esterification reactions. The natural clays were acid activated as received, without any previous treatment. Both natural and acid-activated clays were characterised by XRD, NH3-TPD, thermodesorption of n-butylamine, N2 adsorption analysis, FT-IR, TGA and DTA. The catalytic performance was investigated in the esterification of several carboxylic acids with different alcohols. The reactions were carried out in a 1:3 carboxylic acid/alcohol molar ratio at 100 °C and atmospheric pressure for 3h. The acid-activated clays provided good yields and better performance than commercial clay K10.

Zinc-Promoted Selective Cleavage of Ethers in Presence of Acyl Chloride

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