ETHYL 3-PHENYLGLYCIDATE

ETHYL 3-PHENYLGLYCIDATE Basic information
Product Name:ETHYL 3-PHENYLGLYCIDATE
Synonyms:(2R,3R)-3-Phenyloxirane-2-carboxylic acid ethyl ester;3-Phenyloxirane-2-carboxylic acid ethyl ester;Ethyl 3-Phenylglycidate (cis- and trans- mixture);(2S,3S)-3-Phenyloxirane-2-carboxylic acid ethyl ester;Ethyl 3-phenylglycidate,98%,mixture of cis and trans;Ethyl 3-phenylglycidate,90%,mixture of cis and trans;ethyl2,3-epoxy-3-phenylpropion;Ethyl 2,3-epoxy-3-phenylpropionate
CAS:121-39-1
MF:C11H12O3
MW:192.21
EINECS:204-467-3
Product Categories:Alphabetical Listings;E-F;Flavors and Fragrances;Epoxides;Organic Building Blocks;Oxygen Compounds;Building Blocks;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds
Mol File:121-39-1.mol
ETHYL 3-PHENYLGLYCIDATE Structure
ETHYL 3-PHENYLGLYCIDATE Chemical Properties
Melting point 17-18 °C
Boiling point 96 °C/0.5 mmHg (lit.)
density 1.102 g/mL at 25 °C (lit.)
vapor pressure 0.12Pa at 24℃
FEMA 2454 | ETHYL 3-PHENYLGLYCIDATE
refractive index n20/D 1.518(lit.)
Fp >230 °F
storage temp. 2-8°C
solubility Insoluble in water
form Liquid
color Clear colorless to yellow
Odorat 100.00 %. sweet strawberry berry floral tropical
Odor Typefruity
Water Solubility 748.4mg/L at 24℃
Sensitive Moisture Sensitive
JECFA Number1576
Stability:Stable. Combustible. Incompatible with strong oxidizing agents.
LogP2.4 at 20℃
CAS DataBase Reference121-39-1(CAS DataBase Reference)
EPA Substance Registry SystemEthyl 3-phenylglycidate (121-39-1)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 23-24/25
WGK Germany 2
RTECS MB4970000
TSCA Yes
HS Code 29189990
Hazardous Substances Data121-39-1(Hazardous Substances Data)
toxicityThe acute oral LD50 value in rats was reported as 2.3 ml/kg (2.0-2.6 ml/ kg) (Shelanski, 1973b). The acute dermal LD50 value in rabbits was reported as > 5 g/kg (Shelanski, 1973a).
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
ETHYL 3-PHENYLGLYCIDATE Usage And Synthesis
Chemical Propertiespale yellow liquid
Chemical PropertiesEthyl 3-Phenylglycidate is a colorless liquid with a strawberry-like odor.
It is prepared by treating ethyl cinnamatewith peracetic acid or by condensation of benzaldehyde with ethyl chloroacetate (in the aforementioned Darzens reaction, R == H).Theglycidate is used as a long-lasting fragrancematerial for creating harmonic, fruity notes in household and fine fragrances.
Chemical PropertiesEthyl 3-phenylglycidate has a strong, fruity odor suggestive of strawberry with a corresponding sweet flavor.
OccurrenceApparently has not been reported to occur in nature.
UsesEthyl 3-Phenyloxirane-2-carboxylate is used in preparation method of early-strength viscosity-breaking Polycarboxylate water reducer containing three viscosity-breaking group and used as concrete additive.
PreparationUsually prepared by the reaction of benzaldehyde and the ethyl ester of monochloracetic acid in the presence of an alkaline condensing agent; by reacting the silver salt of phenyl glycidic acid with ethyl iodide.
DefinitionChEBI: Ethyl phenylglycidate is an epoxide and a carboxylic acid.
Aroma threshold valuesDetection: 8.5 ppm
Taste threshold valuesTaste characteristics at 30 ppm: sweet, fruity and berry with dried fruit and floral nuance.
Synthesis Reference(s)Synthetic Communications, 12, p. 355, 1982 DOI: 10.1080/00397918209408010
General DescriptionClear pale yellow or yellow liquid.
Air & Water ReactionsSlightly water soluble.
Reactivity ProfileEpoxides are highly reactive. They polymerize in the presence of catalysts or when heated. These polymerization reactions can be violent. Compounds in this group react with acids, bases, and oxidizing and reducing agents. They react, possibly violently with water in the presence of acid and other catalysts.
Fire HazardETHYL 3-PHENYLGLYCIDATE is probably combustible.
Flammability and ExplosibilityNonflammable
Safety ProfileModerately toxic by ingestion. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
ETHYL 3-PHENYLGLYCIDATE Preparation Products And Raw materials
Raw materialsEthanol-->Acetic acid-->Sodium-->Toluene-->Triethylamine-->Benzaldehyde-->Ethyl formate-->Ethyl chloroacetate-->Propionic acid-->Iodoethane-->Sodium anthraquinone-2-sulfonate
ethyl-2-phenylglycidate AURORA KA-2973 ETHYL-3-PHENYLGLYCIDATE, CIS TRANS 92% 3-(3-CYANO-PHENYL)-3-METHYL-OXIRANE-2-CARBOXYLIC ACID ETHYL ESTER ETHYL 3-(4-ISOBUTYLPHENYL)-3-METHYL GLYCIDATE Ethyl propionate DL-GLYCERIC ACID ETHYL 3-PHENYLGLYCIDATE Glycidol TOSLAB 22668 ETHYL 3-(6-METHOXY-2-NAPHTHYL)-3-METHYL GLYCIDATE (2R,3R)-3-PHENYLGLYCIDOL ETHYL-3,4-DICHLOROPHENYL GLYCIDATE ETHYL-2,4-DICHLOROPHENYL GLYCIDATE Ethyl 3-methyl-3-phenylglycidate AURORA KA-2972 (2R,3S)-3-(4-CHLORO-PHENYL)-2-METHYL-OXIRANE-2-CARBOXYLIC ACID ETHYL ESTER

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