2-etil-hexanoato de hexadecilo - ≥98% , CAS No.59130-69-7

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

GRAU & PUREZA ≥98%

Synonyms

2-etil-hexanoato de hexadecilo|59130-69-7| 2-etil-hexanoato de cetilo|etil-hexanoato de cetilo|ÁCIDO HEXANÓICO, 2-etil-, ÉSTER HEXADECÍLICO|134647WMX4|EINECS 261-619-1|Schercemol CO|Exceparl HO|Tegosoft CO|UNII-134647WMX4|Octanoato de cetearilo|Pelemol 16

Storage

Temperatura ambiente

Shipped In

Normal

Especificações

Sinónimos

2-etil-hexanoato de hexadecilo | 59130-69-7 | 2-etil-hexanoato de cetilo | etil-hexanoato de cetilo | ÁCIDO HEXANÓICO, 2-etil-, ÉSTER HEXADECÍLICO | 134647WMX4 | EINECS 261-619-1 | Schercemol CO | Exceparl HO | Tegosoft CO | UNII-134647WMX4 | Octanoato de cetearilo | Pelemol 16

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Temperatura ambiente

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Fatty Acyls
      • Subclass Fatty alcohol esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de ebulição (°C): 398.93℃ at 760 mmHg
• Ponto de fusão (°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

Perguntas frequentes

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.