Ethyl Pentadecanoate - ≥97%(GC) , CAS No.41114-00-5

CAS: 41114-00-5 Cat. No.: E156069 Fórmula: C₁₇H₃₄O₂ Peso molecular: 270.46 Beilstein Registry Number: 1780990 Número CE: 255-223-8

GRADE & PURITY ≥97%(GC)

Synonyms

PENTADECANOIC ACID ETHYL ESTER | FT-0741473 | PTEYJUIKYIKULL-UHFFFAOYSA-N | ETHYL PENTADECANOATE | D92032 | EINECS 255-223-8 | UNII-HJ2A096Y4T | P0868 | NSC 137833 | CHEBI:172144 | HY-W127474 | Ethyl pentadecanoate, >=96.0% | Pentadecanoic acid, ethyl est

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

PENTADECANOIC ACID ETHYL ESTER | FT-0741473 | PTEYJUIKYIKULL-UHFFFAOYSA-N | ETHYL PENTADECANOATE | D92032 | EINECS 255-223-8 | UNII-HJ2A096Y4T | P0868 | NSC 137833 | CHEBI:172144 | HY-W127474 | Ethyl pentadecanoate, >=96.0% | Pentadecanoic acid, ethyl est

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

• Pubchem Sid: 488183307
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183307
• Sorrisos canónicos: CCCCCCCCCCCCCCC(=O)OCC
• IUPAC Name: ethyl pentadecanoate
• InChIKey: PTEYJUIKYIKULL-UHFFFAOYSA-N
• INCHI: 1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2/h3-16H2,1-2H3
• SMILES isoméricas: CCCCCCCCCCCCCCC(=O)OCC
• WGK Alemanha: 3
• Peso molecular: 270.46
• Beilstein: 1780990
• Reaxy-Rn: 1780986
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1780986&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 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 acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

• Índice de refração: 1.44
• Ponto de ebulição (°C): 158°C/5mmHg(lit.)
• Ponto de fusão (°C): 12-14 °C
• Peso molecular: 270.500 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 270.256 Da
• Monoisotopic Mass: 270.256 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 190.000
• 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

Perguntas frequentes

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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 41114-00-5, the molecular formula is C17H34O2, and the molecular weight is 270.46 g/mol. InChIKey PTEYJUIKYIKULL-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.