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Ethyl 3-Phenylpropionate - 98%, high purity , CAS No.2021-28-5

COA

Grade & Purity:

≥98%

Cas Number: 2021-28-5
Molecular Weight: 178.23
Beilstein Registry Number: 1910432
EC Number: 217-966-6
MDL number: MFCD00009206
PubChem CID: 16237
PubChem SID: 488182217

In stock

Item Number

E107514

Grouped product items
SKU	Size	Availability	Price
E107514-5g	5g	Available within 1-2 weeks(?) Item is derived from our semi-finished stock and is processed in 1-2 weeks.	$9.90
E107514-25g	25g	3	$30.90
E107514-100g	100g	2	$109.90
E107514-250g	250g	1	$246.90
E107514-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$443.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	Ethyl hydrocinnamate, 99% \| NSC126040 \| NSC-126040 \| Ethyl 3-phenylpropanoate \| NCGC00256223-01 \| 3-phenylpropanoic acid ethyl ester \| 3-phenyl-propanoic acid ethyl ester \| 58E9Z9V64D \| Benzenepropanoic acid, ethyl ester \| Hydrocinnamic acid, ethyl ester
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Ethyl 3-phenylpropionate is a volatile flavor compound that is reported to occur in muskmelon and red fermented soybean curds.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid esters
Alternative Parents	Benzene and substituted derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fatty acid ester - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488182217
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182217
IUPAC Name	ethyl 3-phenylpropanoate
INCHI	InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey	JAGZUIGGHGTFHO-UHFFFAOYSA-N
Smiles	CCOC(=O)CCC1=CC=CC=C1
Isomeric SMILES	CCOC(=O)CCC1=CC=CC=C1
WGK Germany	3
Molecular Weight	178.23
Beilstein	1910432
Reaxy-Rn	1910432
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910432&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

13 results found

Lot Number	Certificate Type	Date	Item
D2126183	Certificate of Analysis	Jan 22, 2025	E107514
D2126184	Certificate of Analysis	Jan 22, 2025	E107514
D2126185	Certificate of Analysis	Jan 22, 2025	E107514
C2024125	Certificate of Analysis	Jan 11, 2024	E107514
A2306132	Certificate of Analysis	Jan 13, 2023	E107514
G2307746	Certificate of Analysis	Mar 24, 2022	E107514
L2426212	Certificate of Analysis	Mar 24, 2022	E107514
F2209094	Certificate of Analysis	Mar 24, 2022	E107514
F2209092	Certificate of Analysis	Mar 24, 2022	E107514
F2209065	Certificate of Analysis	Mar 24, 2022	E107514
F2209066	Certificate of Analysis	Mar 24, 2022	E107514
K2223226	Certificate of Analysis	Mar 24, 2022	E107514
D2318428	Certificate of Analysis	Mar 24, 2022	E107514

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Chemical and Physical Properties

Solubility	Miscible with oils and ethanol. Immiscible with water.
Refractive Index	1.494
Flash Point(°F)	226.4 °F
Flash Point(°C)	108 °C
Boil Point(°C)	247-248°C
Molecular Weight	178.230 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	178.099 Da
Monoisotopic Mass	178.099 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	148.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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