ChemicalBook--->CAS DataBase List--->77-83-8

77-83-8

77-83-8 Structure

77-83-8 Structure
IdentificationMore
[Name]

Ethyl 3-methyl-3-phenylglycidate
[CAS]

77-83-8
[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
[EINECS(EC#)]

201-061-8
[Molecular Formula]

C12H14O3
[MDL Number]

MFCD00022338
[Molecular Weight]

206.24
[MOL File]

77-83-8.mol
Chemical PropertiesBack Directory
[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.
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
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 .
[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 .
[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.
[Hazardous Substances Data]

77-83-8(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 5470 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Xylene-->Sodium ethoxide-->Ethyl chloroacetate-->Acetophenone-->Sodium amide-->Propiophenone
Hazard InformationBack Directory
[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)Back Directory
[msds information]

3-Methyl-3-phenyl glycidic acid ethyl ester(77-83-8).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 3-methyl-3-phenylglycidate(77-83-8)FT-IR
Ethyl 3-methyl-3-phenylglycidate(77-83-8)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Ethyl 3-methyl-3-phenylglycidate, cis + trans, 98%(77-83-8)
[Sigma Aldrich]

77-83-8(sigmaaldrich)
77-83-8 suppliers list
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: future industrial shanghai co., ltd  
Telephone: 400-0066400 13621662912
Website: http://www.jonln.com
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: jiliang chemicals  
Telephone: 21-62165282
Website: http://www.jiliangchem.com
Company Name: Beijing Isomersyn Technology CO;LTD  
Telephone: 010-82954736 13391601435
Website: www.chemicalbook.com/supplier/10680452/1.htm
Company Name: Shandong Xiya Chemical Co., Ltd  
Telephone: 13355009207 13355009207
Website: http://www.xiyashiji.com
Company Name: Syntechem Co.,Ltd  
Telephone:
Website: www.syntechem.com
Company Name: Sichuan Kulinan Technology Co., Ltd  
Telephone: 400-1166-196 18981987031
Website: http://www.hx-r.com/
Company Name: Tianjin heowns Biochemical Technology Co., Ltd.  
Telephone: 400 638 7771
Website: www.heowns.com
Company Name: Maya High Purity Chemicals  
Telephone: +86 (573) 82222445 (0)18006601000 452520369
Website: www.chemicalbook.com/ShowSupplierProductsList15221/0_EN.htm
Company Name: Spectrum Chemical Manufacturing Corp.  
Telephone: 021-021-021-67601398-809-809-809 15221380277
Website: www.spectrumchemical.com/oa_html/index.jsp?minisite=10020&respid=22372&language=us
Company Name: Qingdao Free Trade Zone United International Co.,Ltd.  
Telephone: 0532-83893697 18561902820
Website: http://www.unitedint.com
Company Name: Shanghai civi chemical technology co.,Ltd  
Telephone: 86-21-34053660
Website: www.labgogo.com
Company Name: Shanghai T&W Pharmaceutical Co., Ltd.  
Telephone: +86 21 61551611
Website: www.trustwe.com
Company Name: 9ding chemical ( Shanghai) Limited  
Telephone: 4009209199
Website: www.9dingchem.com
Tags:77-83-8 Related Product Information
56-37-1 105-54-4 100-44-7 67-56-1 111-62-6 768-33-2 56-93-9 6163-58-2 638-10-8 122-60-1 99-76-3 1910-42-5 97-62-1 100-39-0 96-33-3 75-05-8 79-20-9 103-83-3