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 Molecular Weight: 146.18 EC Number: 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

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

Specifications & Purity

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

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504752409
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752409
• Canonical Smiles: 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
• Isomeric SMILES: CCOCCC(=O)OCC
• WGK Germany: 1
• RTECS: UF3325000
• UN Number: 1993
• Packing Group: I
• Molecular Weight: 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
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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

Chemical and Physical Properties

• Solubility: Slightly soluble in water
• Refractive Index: 1.405
• Flash Point(°C): 49 °C
• Boil Point(°C): 166°C
• Melt Point(°C): -75 °C
• Molecular Weight: 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

References

1. Hexin Chen, Tuan Lin, Fan Huang, Shuxing Li, Xueyuan Tang, Rong-Jun Xie.  (2022)  Laser-Driven High-Brightness Green Light for Underwater Wireless Optical Communication.  Advanced Optical Materials,  10  (17): (2200836).  [PMID:] [10.1002/adom.202200836]