3-Ethoxypropionic Acid Ethyl Ester（EEP） - ≥98%, contains 50 - 100 ppm BHT as stabilizerr , CAS No.763-69-9

CAS: 763-69-9 Cat. No.: E108066 Formule: C₇H₁₄O₃ Poids moléculaire: 146.18 Numéro CE: 212-112-9

GRADE & PURITY ≥98%, contains 50 - 100 ppm BHT as stabilizerr

Synonyms

Ethyl 3-ethoxypropionate, >=99% | AI3-03254 | BRN 1751976 | ethyl ethoxy propionate | A838683 | AKOS000120095 | EEP Solvent | NSC8870 | NSC-8870 | EEP | Ethyl 3-ethoxypropionate, 99% | Ethyl-3-ethoxypropionate | EINECS 212-112-9 | UNII-EC38RSJ79J | Ethyl3

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Ethyl 3-ethoxypropionate, >=99% | AI3-03254 | BRN 1751976 | ethyl ethoxy propionate | A838683 | AKOS000120095 | EEP Solvent | NSC8870 | NSC-8870 | EEP | Ethyl 3-ethoxypropionate, 99% | Ethyl-3-ethoxypropionate | EINECS 212-112-9 | UNII-EC38RSJ79J | Ethyl3

Spécifications et pureté

≥98%, contains 50 - 100 ppm BHT as stabilizerr

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504752409

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752409

Sourires canoniques

CCOCCC(=O)OCC

IUPAC Name

ethyl 3-ethoxypropanoate

InChIKey

BHXIWUJLHYHGSJ-UHFFFAOYSA-N

INCHI

1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3

Isomères SMILES

CCOCCC(=O)OCC

WGK Allemagne

1

RTECS

UF3325000

Numéro ONU

1993

Groupe d'emballage

I

Poids moléculaire

146.18

Reaxy-Rn

1751976

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751976&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water
• Indice de réfraction: 1.405
• Point d'éclair (°C): 49 °C
• Point d'ébullition (°C): 166°C
• Point de fusion (°C): -75 °C
• Poids moléculaire: 146.180 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 146.094 Da
• Monoisotopic Mass: 146.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 90.900
• 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