3-Hydroxypropanoic acid ethyl ester - ≥95% , CAS No.623-72-3

CAS: 623-72-3 Cat. No.: E185621 Formule: C₅H₁₀O₃ Poids moléculaire: 118.1 Numéro CE: 695-619-1

GRADE & PURITY ≥95%

Synonyms

Q47460511 | STL429866 | DS-13821 | Ethyl3-Hydroxypropanoate | DTXSID50512007 | 3-hydroxy-propanoic acid ethyl ester | A868487 | FT-0683727 | SCHEMBL6403 | EN300-56124 | SY008914 | AKOS005174194 | AMY20483 | methanol=ethyl acetate | MFCD11652203 | Propanoi

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

Q47460511 | STL429866 | DS-13821 | Ethyl3-Hydroxypropanoate | DTXSID50512007 | 3-hydroxy-propanoic acid ethyl ester | A868487 | FT-0683727 | SCHEMBL6403 | EN300-56124 | SY008914 | AKOS005174194 | AMY20483 | methanol=ethyl acetate | MFCD11652203 | Propanoi

Spécifications et pureté

≥95%

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

≥95%

Noms et identifiants

• Pubchem Sid: 504767252
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767252
• Sourires canoniques: CCOC(=O)CCO
• IUPAC Name: ethyl 3-hydroxypropanoate
• InChIKey: UKDLORMZNPQILV-UHFFFAOYSA-N
• INCHI: 1S/C5H10O3/c1-2-8-5(7)3-4-6/h6H,2-4H2,1H3
• Isomères SMILES: CCOC(=O)CCO
• Poids moléculaire: 118.1
• Reaxy-Rn: 1744763
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744763&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
• External Descriptors: Not available

Data sources

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

Cibles associées (humaines)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

Discover Target: PPARA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 118.130 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 118.063 Da
• Monoisotopic Mass: 118.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.100
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 623-72-3, the molecular formula is C5H10O3, and the molecular weight is 118.1 g/mol. InChIKey UKDLORMZNPQILV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.