Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate) - ≥85% , CAS No.31778-15-1

CAS: 31778-15-1 Cat. No.: O159964 Peso molecular: 358.63 Número EC: 250-801-6

GRADE & PURITY ≥85%

Synonyms

MFCD00046844 | AS-76204 | DTXSID4067646 | FT-0747749 | Propanoic acid, 3-mercapto-, octadecyl ester | SCHEMBL1573528 | EINECS 250-801-6 | AKOS028108647 | Octadecyl 3-Mercaptopropionate, >/=85%,containsca.12%Hexadecyl3-Mercaptopropionate | 3-Mercaptopropio

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

MFCD00046844 | AS-76204 | DTXSID4067646 | FT-0747749 | Propanoic acid, 3-mercapto-, octadecyl ester | SCHEMBL1573528 | EINECS 250-801-6 | AKOS028108647 | Octadecyl 3-Mercaptopropionate, >/=85%, containsca.12%Hexadecyl3-Mercaptopropionate | 3-Mercaptopropio

Especificaciones y pureza

≥85%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥85%

Nombres e identificadores

• Pubchem Sid: 504757632
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757632
• Sonrisas canónicas: CCCCCCCCCCCCCCCCCCOC(=O)CCS
• IUPAC Name: octadecyl 3-sulfanylpropanoate
• InChIKey: UCUPUEARJPTGKU-UHFFFAOYSA-N
• INCHI: 1S/C21H42O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21(22)18-20-24/h24H,2-20H2,1H3
• Isómeros SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CCS
• Peso molecular: 358.63
• Reaxy-Rn: 13514808
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13514808&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive,Moisture Sensitive
• Punto de inflamación (°C): 281 °C
• Punto de fusión (°C): 28 °C
• Peso molecular: 358.600 g/mol
• XLogP3: 9.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 20
• Exact Mass: 358.291 Da
• Monoisotopic Mass: 358.291 Da
• Topological Polar Surface Area: 27.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 256.000
• 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

Referencias

1. 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]