3-(4-Ethoxybenzoyl)Propionic Acid - ≥97% , CAS No.53623-37-3

CAS: 53623-37-3 Cat. No.: E300326 Formule: C12H14O4 Poids moléculaire: 222.24 Numéro CE: 676-513-4
DISPONIBLE À COMMANDE
GRADE & PURITY ≥97%
Synonyms
SMR000144978 | 4-(4-ethoxyphenyl)-4-oxobutanoic acid | 4-(4-Ethoxy-phenyl)-4-oxo-butyric acid | 4-(4-Ethoxyphenyl)-4-oxobutyric acid | J-513495 | MLS000550850 | DTXSID50352400 | CHEBI:167786 | 3-(4-Ethoxybenzoyl)propionic acid | STK202165 | AKOS000200526
Storage
Store at 2-8°C
Shipped In
Wet ice
★
Size
Allemagne (EU)
USA*
Price
Qty
1g
E300326-1g
—
3 En stock
11,19€
5g
E300326-5g
—
2 En stock
43,30€
25g
E300326-25g
Sur commande · 8–12 semaines
200,36€
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
SMR000144978 | 4-(4-ethoxyphenyl)-4-oxobutanoic acid | 4-(4-Ethoxy-phenyl)-4-oxo-butyric acid | 4-(4-Ethoxyphenyl)-4-oxobutyric acid | J-513495 | MLS000550850 | DTXSID50352400 | CHEBI:167786 | 3-(4-Ethoxybenzoyl)propionic acid | STK202165 | AKOS000200526
Spécifications et pureté
≥97%
Conditions de stockage de stockage
Store at 2-8°C
Expédié en
Wet ice
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Pureté
≥97%
Noms et identifiants
Pubchem Sid528758145
Sourires canoniquesCCOC1=CC=C(C=C1)C(=O)CCC(=O)O
IUPAC Name4-(4-ethoxyphenyl)-4-oxobutanoic acid
InChIKeyHXMFVOXVXQBEEJ-UHFFFAOYSA-N
INCHI1S/C12H14O4/c1-2-16-10-5-3-9(4-6-10)11(13)7-8-12(14)15/h3-6H,2,7-8H2,1H3,(H,14,15)
Isomères SMILES CCOC1=CC=C(C=C1)C(=O)CCC(=O)O
Poids moléculaire 222.24
Reaxy-Rn 2648877
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2648877&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClasseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Butyrophenones  Phenoxy compounds  Phenol ethers  Gamma-keto acids and derivatives  Benzoyl derivatives  Aryl alkyl ketones  Alkyl aryl ethers  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Butyrophenone - Benzoyl - Phenoxy compound - Gamma-keto acid - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Keto acid - Monocyclic benzene moiety - Benzenoid - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
Plasmodium falciparum (966862 Activities)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
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.

3 results found

Lot NumberCertificate TypeDateArticle
I2528352Certificate of AnalysisJul 30, 2025 E300326
I2528356Certificate of AnalysisJul 30, 2025 E300326
I2528357Certificate of AnalysisJul 30, 2025 E300326
Propriétés chimiques et physiques
Poids moléculaire222.240 g/mol
XLogP31.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass222.089 Da
Monoisotopic Mass222.089 Da
Topological Polar Surface Area63.600 Ų
Heavy Atom Count16
Formal Charge0
Complexity241.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
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