Ethyl phenyllactate, (+-)-

HCID 6429708
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Basic information

CAS
15399-05-0
Standard SMILES
CCOC(=O)C(O)Cc1ccccc1
InChIKey
HBOGUIFRIAXYNB-UHFFFAOYSA-N
Molecular formula
C11H14O3
Average molar mass
194.23 g/mol
Monoisotopic mass
194.09429431

Overview

Ethyl 2-hydroxy-3-phenylpropanoate is a carboxylic ester obtained by the formal condensation of the carboxy group of 3-hydroxy-3-phenylpropionic acid with ethanol. It has a role as a metabolite. It is a member of benzenes and a carboxylic ester. It is functionally related to a 3-hydroxy-3-phenylpropionic acid.

Names & identifiers

Preferred name
Ethyl phenyllactate, (+-)-
IUPAC
ethyl 2-hydroxy-3-phenylpropanoate
English name
ethyl 2-hydroxy-3-phenylpropanoate
Molecular formula
C11H14O3
Molecular weight
194.22706

Names & synonyms

ethyl 2-hydroxy-3-phenylpropanoate15399-05-0Ethyl 2-hydroxy-3-phenylpropionate3-Phenyllactic acid ethyl esterEthyl phenyllactate, (+-)-R64374A2E5CHEBI:87513DTXSID50934886RefChem:596375DTXCID50218335Benzopropanoic acid, alpha-hydroxy-, ethyl esterEthyl phenyllactate
Show more names
ethyl phenyl lactateBenzenepropanoic acid, α-hydroxy-, ethyl ester
MFCD00128177Phenyllactic acid ethyl esterFEMA No. 4598Lactic acid, 3-phenyl-, ethyl esterPropanoic acid, 2-hydroxy-3-phenyl, ethyl esterEthyl alpha-hydroxyhydrocinnamateUNII-R64374A2E5Benzenepropanoic acid, alpha-hydroxy-, ethyl ester

Database identifiers

CAS
15399-05-0
PubChem CID
6429708
DTXSID
DTXSID50934886
ChEBI
CHEBI:87513
UNII
R64374A2E5
Nikkaji
J303.567K

Properties

Computed structural properties

XLogP
2
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
14

Experimental & physicochemical properties

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.092-1.102
Solubility · 2 items

Insoluble

Soluble (in ethanol)

Boiling Point108 @ 0.3 kPa
Refractive Index1.528-1.538
Physical DescriptionColourless to pale yellow clear liquid / Black pepper like aroma

Physicochemical properties

Melting point
46 · 46-47 °C
Boiling point
152 · 152-154 °C(Press: 2 Torr)
Density
1.105 g/cm3 · 1.105 g/cm3(Temp: 17 °C)
FEMA
4598 · 4598 | ETHYL 2-HYDROXY-3-PHENYLPROPIONATE
storage temp.
-20 °C · -20°C Freezer
solubility
Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly)

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Applications

UsesEthyl 2-Hydroxy-3-phenylpropanoate (cas# 15399-05-0) was detected as a compound in vinasse-cured duck during processing.

Suppliers23 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Additional notes

DefinitionChEBI: A carboxylic ester obtained by the formal condensation of the carboxy group of 3-hydroxy-3-phenylpropionic acid with ethanol.

Related reactions

13 records
New reaction record

Compound notes

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