Ethyl undecanoate - ≥97% , CAS No.627-90-7

CAS: 627-90-7 Cat. No.: E139107 Fórmula: CH₃(CH₂)₉CO₂C₂H₅ Peso molecular: 214.34 Beilstein Registry Number: 2(1)154 Número EC: 211-018-5

GRADE & PURITY ≥97%

Synonyms

A868359 | Q5223I1993 | NSC97265 | NSC-97265 | UNII-Q5223I1993 | Undecanoic acid ethyl ester | DS-4070 | EINECS 211-018-5 | FEMA 3492 | SCHEMBL309440 | U0049 | AI3-04250 | Ethyl undecylate | HENDECANOIC ACID, ETHYL ESTER | ETHYL UNDECANOATE [FHFI] | CHEBI:

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A868359 | Q5223I1993 | NSC97265 | NSC-97265 | UNII-Q5223I1993 | Undecanoic acid ethyl ester | DS-4070 | EINECS 211-018-5 | FEMA 3492 | SCHEMBL309440 | U0049 | AI3-04250 | Ethyl undecylate | HENDECANOIC ACID, ETHYL ESTER | ETHYL UNDECANOATE [FHFI] | CHEBI:

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488181624

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181624

Sonrisas canónicas

CCCCCCCCCCC(=O)OCC

IUPAC Name

ethyl undecanoate

InChIKey

IAFQYUQIAOWKSB-UHFFFAOYSA-N

INCHI

1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3

Isómeros SMILES

CCCCCCCCCCC(=O)OCC

WGK Alemania

3

Peso molecular

214.34

Beilstein

2(1)154

Reaxy-Rn

1767805

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1767805&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.429
• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): >110°C
• Punto de ebullición (°C): 140°C/20mmHg
• Punto de fusión (°C): -15°C
• Peso molecular: 214.340 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 214.193 Da
• Monoisotopic Mass: 214.193 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 143.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% 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 627-90-7, the molecular formula is C13H26O2, and the molecular weight is 214.34 g/mol. InChIKey IAFQYUQIAOWKSB-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.