ChemicalBook CAS DataBase List 77-83-8

77-83-8

Name	Ethyl 3-methyl-3-phenylglycidate
CAS	77-83-8
EINECS(EC#)	201-061-8
Molecular Formula	C12H14O3
MDL Number	MFCD00022338
Molecular Weight	206.24
MOL File	77-83-8.mol

Synonyms

3-Methyl-3-phenyl glycidic acid ethyl ester ALDEHYDE C-16 ETHYL 2,3-EPOXY-3-PHENYLBUTYRATE ETHYL 3-METHYL-2,3-EPOXY-HYDROCINAMIC ACID ETHYL 3-METHYL-3-PHENYLGLYCIDATE ETHYL 3-PHENYL-2,3-EPOXYBUTYRATE ETHYL-A B-EPOXY-B-METHYLHYDROCINNAMATE ETHYL BETA-METHYL-BETA-PHENYLGLYCIDATE ETHYL METHYL PHENYL GLYCIDATE FEMA 2444 GLYCIDIC ACID, 3-METHYL-3-PHENYL:ETHYL ESTER STRAWBERRY ALDEHYDE 2,3-epoxy-3-phenyl-butanoicaciethylester 2,3-Epoxy-3-phenylbutyric acid, ethyl ester 3-methyl-3-phenyl-oxiranecarboxylicacid,ethylester 3-methyl-3-phenyl-oxiranecarboxylicacidethylester 3-methyl-3-phenyl-oxiranecarboxylicaciethylester alpha,beta-Epoxy-beta-methylhydrocinnamic acid, ethyl ester alpha,beta-epoxy-beta-methylhydrocinnamicacid,ethylester alpha,beta-epoxy-beta-methyl-hydrocinnamicaciethylester

Chemical Properties

Appearance	clear yellow liquid
Boiling point	272-275 °C(lit.)
density	1.087 g/mL at 25 °C(lit.)
FEMA	2444
refractive index	n20/D 1.505(lit.)
Fp	>230 °F
storage temp.	2-8°C
form	clear liquid
color	Colorless to Light orange to Yellow
Odor	at 100.00 %. sweet fruity strawberry floral honey fatty
biological source	synthetic
Odor Type	fruity
JECFA Number	1577
BRN	12299
Major Application	flavors and fragrances
Cosmetics Ingredients Functions	VISCOSITY CONTROLLING PERFUMING
InChI	1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKey	LQKRYVGRPXFFAV-UHFFFAOYSA-N
SMILES	CCOC(=O)C1OC1(C)c2ccccc2
LogP	2.43
Uses	Ethyl 3-methyl-3-phenylglycidate is a synthetic flavoring agent that is a glycidic acid ester. It is a colorless to pale yellow liquid with a strong fruit odor suggestive of strawberries. It is unstable to alkali and moderately stable to weak organic acids. It should be stored in glass, tin, or aluminum containers. It is soluble in fixed oils and in propylene glycol. It is used in flavors for strawberry note and has application in candy, beverages, and ice cream at 6–20 ppm. It is also termed aldehyde c-16. less more
CAS DataBase Reference	77-83-8(CAS DataBase Reference)
NIST Chemistry Reference	Glycidic acid, 3-methyl-3-phenyl, ethyl ester(77-83-8)
EPA Substance Registry System	77-83-8(EPA Substance)

Safety Data

Symbol(GHS)	GHS07,GHS09
Signal word	Warning
Hazard statements	H317-H411
Precautionary statements	P261-P272-P273-P280-P302+P352-P333+P313
Hazard Codes	Xi
Risk Statements	R10:Flammable. R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S16:Keep away from sources of ignition-No smoking . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . less more
RIDADR	UN 1993 3/PG 3
WGK Germany	2
RTECS	MW5250000
TSCA	Yes
REACH Registrations	Active
HazardClass	3
HS Code	29189090
Storage Class	10 - Combustible liquids
Hazard Classifications	Aquatic Chronic 2 Skin Sens. 1B
Safety Profile	Mddly toxic by ingestion. Mutation data reported. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES. less more
Hazardous Substances Data	77-83-8(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 5470 mg/kg less more

Raw materials And Preparation Products

Hazard Information

General Description

Clear, colorless to yellowish liquid with a strawberry-like odor.

Reactivity Profile

Esters, such as 3-METHYL-3-PHENYLGLYCIDIC ACID ETHYL ESTER(77-83-8), react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Air & Water Reactions

Insoluble in water.

Fire Hazard

This chemical is probably combustible.

Chemical Properties

clear yellow liquid

Chemical Properties

Ethyl 3-Methyl-3-phenylglycidate exists as two optically active pairs of cis- and trans-isomers; each isomer has a characteristic odor . The commercial product is a racemic mixture of all four isomers and has a strong, sweetish, strawberry odor. The cis/trans ratio obtained in the Darzens condensation of acetophenone (R==CH3) and ethyl chloroacetate depends on the base used in the reaction.

Chemical Properties

Ethyl methylphenylglycidate on dilution has a strong fruity odor suggestive of strawberry. It has a characteristic, slightly acid taste reminiscent of strawberry.

Chemical Properties

Perennial, herbaceous plant; grows wild or cultivated in central–southern Europe, North America and Asia. The plant grows 10 to 20 cm (4 to 8 in.) in height and has thick rhizomes; radical leaves with long, small, white flowers blossoming from April to July; and fleshy, ovoidal, red berries covered with numerous achenes. The only part used is the berries. Strawberry has a sweet–sour taste and a characteristic odor.

Occurrence

Has apparently not been reported to occur in nature.

Definition

ChEBI: Phenylmethylglycidic ester is a carboxylic acid and an epoxide.

Preparation

By reaction of acetophenone and the ethyl ester of monochloroacetic acid in the presence of an alkaline condensing agent.

Composition

Strawberry aroma has been the subject of extensive investigation. Several components have been identified, of which only 7% appear to be responsible for the aroma. Strawberry aroma varies widely with the strawberry variety. The most valuable part, aroma, is from wild strawberry.

Aroma threshold values

Detection: 2 ppm

Taste threshold values

Taste characteristics at 1 and 5% sucrose: sweet, ripe, strawberry jam and preserve notes.

Taste threshold values

Taste characteristics at 50 ppm: sweet, berry, strawberry, fruity, tutti-frutti and floral nuances

Trade name

Strawberry pure (Givaudan)

Synthesis

Ethyl 3-methyl-3-phenylglycidate is synthesized by Acetophenone by condensation with Ethyl monochloroacetate in an alkaline solution, using sodium as a condensing agent.

Solubility in organics

Poorly soluble in Propylene glycol, Glycerin and mineral oil, soluble in alcohol, miscible with most perfume and flavor oils.

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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