Basic information
- CAS
840-97-1- Standard SMILES
CCOC(=O)C(Cc1ccc(O)cc1)NC(C)=O- InChIKey
SKAWDTAMLOJQNK-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Overview
2-acetamido-3-(4-hydroxyphenyl)propanoic acid ethyl ester is a tyrosine derivative.
Names & identifiers
- Preferred name
- Acetyl tyrosine ethyl ester
- IUPAC
- ethyl 2-acetamido-3-(4-hydroxyphenyl)propanoate
- English name
- N-Acetyl-L-tyrosine ethyl ester
- Molecular formula
- C13H17NO4
- Molecular weight
- 251.28
Names & synonyms
ACETYL TYROSINE ETHYL ESTERRefChem:1076015ethyl 2-acetamido-3-(4-hydroxyphenyl)propanoateethyl N-acetyltyrosinateacetyltyrosine ethyl esterEthyl acetyltyrosineEthyl acetyltyrosinate30697-69-9N-Acetyltyrosine ethyl esterAcetyl-L-tyrosine ethyl esterN-Acetyl-L-tyrosyl ethyl esterEthyl (2S)-2-(acetylamino)-3-(4-hydroxyphenyl)propanoate
Show more names
AC-TYR-OETATEEEthyl acetyl-l-tyrosinateethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoateC01657L-ATEEAc-L-Tyr-OEtN-Ac-Tyr-OEtAS-Tyr-Oet.h2oAC-TYROSINE-OET
NSC 64725NSC 87506Tyrosine, N-acetyl-, ethyl ester, L-Spectrum_000396Spectrum2_001345Spectrum3_001394Spectrum4_000107Spectrum5_001342
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 78 · 78-81 °C
- Boiling point
- 394.43 °C · 394.43°C (rough estimate)
- Density
- 1.1667 · 1.1667 (rough estimate)
- refractive index
- 22 ° · 22 ° (C=1, EtOH)
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- Solid
- pka
- 9.75 · 9.75±0.15(Predicted)
- color
- White to off-white
- Water Solubility
- 3.48 g/L · 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 · 0.592 (est)
- CAS DataBase Reference
- 840 · 840-97-1(CAS DataBase Reference)
- EPA Substance Registry System
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-21
- wgk
- 3
- tsca
- TSCA listed
- safety_code
- 24/25
Chemistry & industry
Applications
UsesN-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.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers87 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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