Hexadecyl 2-ethylhexanoate - ≥98% , CAS No.59130-69-7

CAS: 59130-69-7 Cat. No.: H304078 Fórmula: C₂₄H₄₈O₂ Peso molecular: 368.64 Número EC: 261-619-1

CALIDAD & PUREZA ≥98%

Synonyms

Hexadecyl 2-ethylhexanoate|59130-69-7|Cetyl 2-ethylhexanoate|cetyl ethylhexanoate|HEXANOIC ACID, 2-ETHYL-, HEXADECYL ESTER|134647WMX4|EINECS 261-619-1|Schercemol CO|Exceparl HO|Tegosoft CO|UNII-134647WMX4|Cetearyl octanoate|Pelemol 168|Hest CSO (Salt/Mix)

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

Hexadecyl 2-ethylhexanoate | 59130-69-7 | Cetyl 2-ethylhexanoate | cetyl ethylhexanoate | HEXANOIC ACID, 2-ETHYL-, HEXADECYL ESTER | 134647WMX4 | EINECS 261-619-1 | Schercemol CO | Exceparl HO | Tegosoft CO | UNII-134647WMX4 | Cetearyl octanoate | Pelemol 168 | Hest CSO (Salt/Mix)

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC

IUPAC Name

hexadecyl 2-ethylhexanoate

InChIKey

XJNUECKWDBNFJV-UHFFFAOYSA-N

INCHI

1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3

Isómeros SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC

Peso molecular

368.64

Reaxy-Rn

6206047

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6206047&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty alcohol esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty alcohol esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohol esters
• Alternative Parents: Fatty acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol ester - Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
• 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

• Punto de ebullición (°C): 398.93℃ at 760 mmHg
• Punto de fusión (°C): 1065℃
• Peso molecular: 368.600 g/mol
• XLogP3: 10.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 21
• Exact Mass: 368.365 Da
• Monoisotopic Mass: 368.365 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 288.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 59130-69-7, the molecular formula is C24H48O2, and the molecular weight is 368.64 g/mol. InChIKey XJNUECKWDBNFJV-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.