ChemicalBook--->CAS DataBase List--->840-97-1

840-97-1

840-97-1 Structure

840-97-1 Structure
IdentificationMore
[Name]

N-ACETYL-L-TYROSINE ETHYL ESTER
[CAS]

840-97-1
[Synonyms]

ACETYL-L-TYR ETHYL ESTER
ACETYL-L-TYROSINE, ETHYL ESTER
AC-TYR-OET
AC-TYROSINE-OET
ATEE
ETHYLACETYL-L-TYROSINE
N-ACETYL-L-TYR ETHYL ESTER
N-ACETYL-L-TYROSINE ETHYL ESTER
N-ALPHA-ACETYL-L-TYROSINE ETHYL ESTER
ethyln-alpha-acetyl-tyrosinate
N-Acetyl-L-Tyrosine methyl ester
ethyl N-acetyl-L-tyrosinate
ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate
N-ACETYLTYROSINEETHYLESTER
Ac-L-Tyr-OEt*H2O
N-alpha-Actetyl-L-tyrosine ethyl ester monohydrate
Ac-L-Tyr-OEt
N-Acetyltyrosine ethyl
N-Ac-Tyr-OEt
[EINECS(EC#)]

212-663-5
[Molecular Formula]

C13H17NO4
[MDL Number]

MFCD00002389
[Molecular Weight]

251.28
[MOL File]

840-97-1.mol
Chemical PropertiesBack Directory
[Melting point ]

78-81 °C
[Boiling point ]

394.43°C (rough estimate)
[density ]

1.1667 (rough estimate)
[refractive index ]

22 ° (C=1, EtOH)
[storage temp. ]

2-8°C
[form ]

Solid
[pka]

9.75±0.15(Predicted)
[color ]

White to off-white
[Water Solubility ]

3.48g/L(28 ºC)
[InChI]

InChI=1S/C13H17NO4/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8H2,1-2H3,(H,14,15)/t12-/m0/s1
[InChIKey]

SKAWDTAMLOJQNK-LBPRGKRZSA-N
[SMILES]

C(OCC)(=O)[C@H](CC1=CC=C(O)C=C1)NC(C)=O
[LogP]

0.592 (est)
[CAS DataBase Reference]

840-97-1(CAS DataBase Reference)
[EPA Substance Registry System]

L-Tyrosine, N-acetyl-, ethyl ester (840-97-1)
Safety DataBack Directory
[Safety Statements ]

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

3
[F ]

10-21
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Uses]

N-Acetyl-L-tyrosine ethyl ester (ATEE) is a compound commonly used as a food flavoring and supplement. It is an ester of tyrosine, an amino acid found in many proteins. N-Acetyl-L-tyrosine ethyl ester is sweet, nutty and caramelized and is commonly used to enhance the flavor of baked goods, dairy products and beverages. Potential health benefits of N-Acetyl-L-tyrosine ethyl ester include its antioxidant properties and ability to improve cognitive function.
[Definition]

ChEBI: Ethyl N-acetyl-L-tyrosinate is an L-tyrosine derivative that is the ethyl ester of N-acetyltyrosine. It is an ethyl ester, a member of acetamides, a member of phenols and a L-tyrosine derivative.
[Enzyme inhibitor]

This ester (FW = 251.28 g/mol; Abbreviation ATEE) is a substrate for chymotrypsin that is frequently used in assays of that enzyme. The reaction can be followed by observing the production of free carboxyl groups or by the decrease in absorbance at 237 nm and pH 7. Supersaturated stock solutions (i.e., 10-20 mM) can be prepared by dissolving ATEE in water at 85°C, followed by rapidly cooling to room temperature. These solutions are typically stable for six to twelve hours. N-Acetyl-L-tyrosine ethyl ester inhibits protein-disulfide reductase, glutathione-requiring; thiolsubtilisin; complement component C’.
Spectrum DetailBack Directory
[Spectrum Detail]

N-ACETYL-L-TYROSINE ETHYL ESTER(840-97-1)MS
N-ACETYL-L-TYROSINE ETHYL ESTER(840-97-1)1HNMR
N-ACETYL-L-TYROSINE ETHYL ESTER(840-97-1)13CNMR
N-ACETYL-L-TYROSINE ETHYL ESTER(840-97-1)IR1
N-ACETYL-L-TYROSINE ETHYL ESTER(840-97-1)IR2
N-ACETYL-L-TYROSINE ETHYL ESTER(840-97-1)Raman
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

N-Acetyl-L-tyrosine Ethyl Ester  Monohydrate,>98.0%(N)(840-97-1)
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