Ethyl phenylacetate

Ethyl phenylacetate Basic information
Product Name:Ethyl phenylacetate
Synonyms:Ethyl phenylacetate Vetec(TM) reagent grade, 97.5%;Benzeneaciticacidethylester;ethyl 2-phenylacetate;Ethyl 2-phenylethanoate;Ethyl benzeneacetate;Ethyl phenacetate;Ethyl phenylethanoate;ethyl2-phenylacetate
CAS:101-97-3
MF:C10H12O2
MW:164.2
EINECS:202-993-8
Product Categories:C10 to C11;Carbonyl Compounds;Esters;Alphabetical Listings;E-F;Flavors and Fragrances;Pharmaceutical Intermediates;Organics;API intermediates;flavoring;ethyl 2-phenylacetate;101-97-3
Mol File:101-97-3.mol
Ethyl phenylacetate Structure
Ethyl phenylacetate Chemical Properties
Melting point -29 °C
Boiling point 229 °C(lit.)
density 1.03 g/mL at 25 °C(lit.)
vapor pressure 22.7Pa at 20℃
FEMA 2452 | ETHYL PHENYLACETATE
refractive index n20/D 1.497(lit.)
Fp 172 °F
storage temp. Store below +30°C.
solubility Chloroform (Slightly), Ethyl Acetate (Slightly)
form neat
color Colourless
Odorat 10.00 % in dipropylene glycol. sweet floral honey rose balsam cocoa
Odor Typefloral
Water Solubility insoluble
Merck 14,3840
JECFA Number1009
BRN 509140
InChIKeyDULCUDSUACXJJC-UHFFFAOYSA-N
LogP2.36 at 22℃
CAS DataBase Reference101-97-3(CAS DataBase Reference)
NIST Chemistry ReferenceBenzeneacetic acid, ethyl ester(101-97-3)
EPA Substance Registry SystemBenzeneacetic acid, ethyl ester (101-97-3)
Safety Information
Safety Statements 23-24/25
WGK Germany 2
RTECS AJ2824000
TSCA Yes
HS Code 29163500
Hazardous Substances Data101-97-3(Hazardous Substances Data)
toxicityThe acute oral LD50 value in rats was reported as 3.30g/kg(2.52-4.08 g/kg) (Moreno,1973).The acute dermal LD50 in rabbits was reported as > 5g/kg(Moreno, 1973).
MSDS Information
ProviderLanguage
Phenylacetic acid ethyl ester English
ACROS English
SigmaAldrich English
ALFA English
Ethyl phenylacetate Usage And Synthesis
Chemical PropertiesEthyl Phenylacetate is a volatile aroma component of fruit and honey. It is a clear colourless to pale yellowish liquid with a pleasant, strong, sweet odor reminiscent of honey and a bittersweet flavor. Small amounts are used in flower perfumes and in fruit flavors.
OccurrenceReported found in grapefruit juice, apple juice, figs, guava, pineapple, papaya, cognac, cider, grape wines and port wine.
UsesEthyl phenylacetate was used to study the solvent-based self-healing of epoxy materials. It is also used as a flavoring agent, flavor animal feeds, In perfumery.
DefinitionChEBI: Ethyl phenylacetate is a member of benzenes. It is a less toxic, greener solvent. It is non-mutagenic.
PreparationEthyl phenylacetate is prepared by heating at the boil phenylacetonitrile and sulfuric acid in alcohol solution; by esterification of the acid catalyzed by HCl or H2SO4.
Aroma threshold valuesDetection: 650 ppb
Taste threshold valuesTaste characteristics at 10 ppm: sweet, fruity, honey, cocoa, apple and woody
General DescriptionEthyl phenylacetate is a less toxic, greener solvent. It is non-mutagenic.
Flammability and ExplosibilityNonflammable
Biochem/physiol ActionsTaste at 5 to 10 ppm
Safety ProfileModerately toxic by ingestion. Combustible liquid. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Purification MethodsShake the ester with saturated aqueous Na2CO3 (three times), aqueous 50% CaCl2 (twice) and saturated aqueous NaCl (twice). Dry with CaCl2 and distil it under reduced pressure. [Beilstein 9 H 434, 9 IV 1618.]
4-HYDROXY-3-PHENYL-2(5H)-FURANONE Homatropine Hydrobromide ETHYL P-TOLYLACETATE DIETHYL 2-(P-TOLYL)MALONATE BENACTYZINE HYDROCHLORIDE Diethyl phenylmalonate ETHYL PHENYLCYANOACETATE ETHYL HOMOVANILLATE ETHYL O-TOLYLACETATE 4-(BROMOMETHYL)PHENYLACETIC ACID PHENACYL ESTER Ethyl phenylacetate ETHYL MANDELATE DIETHYL 2-ETHYL-2-(P-TOLYL)MALONATE 2,2-DIMETHYL-5-PHENYL-1,3-DIOXANE-4,6-DIONE ALPHA,ALPHA-DIPHENYL-GAMMA-BUTYROLACTONE 2,3-DIPHENYLMALEIC ANHYDRIDE 2-PHENYLGLUTARIC ANHYDRIDE Scopolamine hydrobromide

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