Pentadecyl Acetate - ≥95% , CAS No.629-58-3

CAS: 629-58-3 Cat. No.: P160694 Fórmula: C₁₇H₃₄O₂ Peso molecular: 270.46 Beilstein Registry Number: 2(3)265 PubChem CID: 522077

GRADE & PURITY ≥95%

Synonyms

AS-81681 | HY-W127539 | D92147 | 1-Pentadecanol acetate | PENTADECANYL ACETATE | AAAIZLQILBFRTJ-UHFFFAOYSA-N | DTXSID50334842 | P1700 | FT-0632665 | SCHEMBL966423 | Acetic acid, pentadecyl ester | Pentadecyl acetate, ~99% (capillary GC) | LMFA07010342 | n

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-81681 | HY-W127539 | D92147 | 1-Pentadecanol acetate | PENTADECANYL ACETATE | AAAIZLQILBFRTJ-UHFFFAOYSA-N | DTXSID50334842 | P1700 | FT-0632665 | SCHEMBL966423 | Acetic acid, pentadecyl ester | Pentadecyl acetate, ~99% (capillary GC) | LMFA07010342 | n

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: CCCCCCCCCCCCCCCOC(=O)C
• IUPAC Name: pentadecyl acetate
• InChIKey: AAAIZLQILBFRTJ-UHFFFAOYSA-N
• INCHI: 1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(2)18/h3-16H2,1-2H3
• SMILES isoméricas: CCCCCCCCCCCCCCCOC(=O)C
• PubChem CID: 522077
• Peso molecular: 270.46
• Beilstein: 2(3)265
• Reaxy-Rn: 1780983

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: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol 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: Wax monoesters

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 inflamação (°C): 140 °C
• Ponto de ebulição (°C): 230°C/70mmHg(lit.)
• Ponto de fusão (°C): 15°C(lit.)
• Peso molecular: 270.500 g/mol
• XLogP3: 7.200
• 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

What is the purity of this product?

This product is supplied at ≥95% 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 629-58-3, the molecular formula is C17H34O2, and the molecular weight is 270.46 g/mol. InChIKey AAAIZLQILBFRTJ-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.