Ethyl 3-Mercaptopropionate - ≥96% , CAS No.5466-06-8

CAS: 5466-06-8 Cat. No.: E119585 Molecular Weight: 134.19 EC Number: 226-771-5

GRADE & PURITY ≥96%

Synonyms

Q27253650 | Ethyl 3-mercaptopropanoate | 22GQZ8P70D | ETHYL-3-MERCAPTOPROPIONATE | FEMA 3677 | DTXSID7063922 | .BETA.-MERCAPTOPROPIONIC ACID ETHYL ESTER | AKOS009157041 | Ethyl 3-thiopropionate | InChI=1/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3 | MFCD00004

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Q27253650 | Ethyl 3-mercaptopropanoate | 22GQZ8P70D | ETHYL-3-MERCAPTOPROPIONATE | FEMA 3677 | DTXSID7063922 | .BETA.-MERCAPTOPROPIONIC ACID ETHYL ESTER | AKOS009157041 | Ethyl 3-thiopropionate | InChI=1/C5H10O2S/c1-2-7-5(6)3-4-8/h8H, 2-4H2, 1H3 | MFCD00004

Specifications & Purity

≥96%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488182714
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182714
• Canonical Smiles: CCOC(=O)CCS
• IUPAC Name: ethyl 3-sulfanylpropanoate
• InChIKey: CJQWLNNCQIHKHP-UHFFFAOYSA-N
• INCHI: 1S/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3
• Isomeric SMILES: CCOC(=O)CCS
• Molecular Weight: 134.19
• Reaxy-Rn: 1745000
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745000&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 Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Moisture Sensitive
• Refractive Index: 1.4550 to 1.4590
• Flash Point(°F): 72°C(lit.)
• Flash Point(°C): 72°C(lit.)
• Molecular Weight: 134.200 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 134.04 Da
• Monoisotopic Mass: 134.04 Da
• Topological Polar Surface Area: 27.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.800
• 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. Jiaming Yang, Yonggang Zhang, Mengyuan Hao, Jianhai Zhi, Xin Qian.  (2023)  Synergistically toughened epoxy resin based on modified-POSS triggered interpenetrating network.  POLYMER,      [PMID:] [10.1016/j.polymer.2023.125719]

2. Chen Chen, Xue-yan Zhu, Qiao-ling Gao, Fei Fang, Xiao-jun Huang.  (2016)  Surface modification of cyclomatrix polyphosphazene microsphere by thiol-ene chemistry and lectin recognition.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2016.06.116]

3. Mengyuan Hao, Jiaming Yang, Chengxi Zhu, Yonggang Zhang, Xin Qian, Jianhai Zhi, Li Liu, Yudong Huang.  (2025)  Construction of "octopus"-like POSS nanostructure triggerring interpenetrating network for high-performance epoxy thermosets and CFRP composites.  COMPOSITES SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.compscitech.2025.111273]