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620-79-1

620-79-1 Structure

620-79-1 Structure
IdentificationMore
[Name]

ETHYL 2-BENZYLACETOACETATE
[CAS]

620-79-1
[Synonyms]

2-ACETYL-3-PHENYLPROPIONIC ACID ETHYL ESTER
2-BENZYLACETOACETIC ACID ETHYL ESTER
ETHYL 2-ACETYL-3-PHENYLPROPIONATE
ETHYL 2-BENZYL-3-OXOBUTANOATE
ETHYL 2-BENZYLACETOACETATE
ETHYL ALPHA-BENZYLACETOACETATE
FEMA 2416
(R,S)-2-Acetyl-3-phenyl-propanoicacidethylester
(R,S)-2-Benzyl-3-oxo-butyricacidethylester
2-Benzylacetessigsαureethylester
alpha-acetyl-benzenepropanoicaciethylester
Benzenepropanoic acid, alpha-acetyl-, ethyl ester
Benzenepropanoicacid,α-acetyl-,ethylester
Ethyl alpha-acetylhydrocinnamate
Ethyl benzylacetoacetate
Ethyl-a-benzylacetoacetate
Hydrocinnamic acid, alpha-acetyl-, ethyl ester
α-Acetylhydrozimtsαureethylester
ETHYL 2-ACETYL-3-PHENYLPROPIONATE 97+%
2-Benzyl-3-oxobutanoic Acid Ethyl Ester
[EINECS(EC#)]

210-651-4
[Molecular Formula]

C13H16O3
[MDL Number]

MFCD00009156
[Molecular Weight]

220.26
[MOL File]

620-79-1.mol
Chemical PropertiesBack Directory
[Appearance]

Light Yellow Liquid
[Boiling point ]

276 °C (lit.)
[density ]

1.036 g/mL at 25 °C(lit.)
[FEMA ]

2416
[refractive index ]

n20/D 1.5(lit.)
[Fp ]

>230 °F
[storage temp. ]

-20°C Freezer
[solubility ]

Difficult in mix.
[form ]

Oil
[pka]

11.41±0.46(Predicted)
[color ]

Clear Colourless
[Specific Gravity]

1.036
[Odor]

at 100.00 %. sweet fruity floral spicy balsamic tropical berry davana tropical fruit
[Odor Type]

spicy
[JECFA Number]

835
[BRN ]

520909
[InChI]

1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
[InChIKey]

XDWQYMXQMNUWID-UHFFFAOYSA-N
[SMILES]

CCOC(=O)C(Cc1ccccc1)C(C)=O
[LogP]

2.52
[CAS DataBase Reference]

620-79-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

29183000
[Storage Class]

12 - Non Combustible Liquids
Hazard InformationBack Directory
[Chemical Properties]

It is an aromatic ester lactone
[Chemical Properties]

Light Yellow Liquid
[Uses]

Ethyl 2-benzylacetoacetate is used as a flavoring agent.
[Definition]

ChEBI: Ethyl 2-benzylacetoacetate is an oxo carboxylic acid.
[Preparation]

By reacting benzyl chloride over hot sodium acetoacetate.
[Aroma threshold values]

Taste characteristics at 12 ppm: spicy, musty and cinnamon-like with a caramellic undertone.
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 2-BENZYLACETOACETATE(620-79-1)MS
ETHYL 2-BENZYLACETOACETATE(620-79-1)1HNMR
ETHYL 2-BENZYLACETOACETATE(620-79-1)IR1
ETHYL 2-BENZYLACETOACETATE(620-79-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl 2-benzylacetoacetate, 97%(620-79-1)
[Alfa Aesar]

Ethyl 2-benzylacetoacetate, 97%(620-79-1)
[Sigma Aldrich]

620-79-1(sigmaaldrich)
[TCI AMERICA]

Ethyl 2-Benzylacetoacetate,>98.0%(GC)(620-79-1)
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