Isoamyl Laurate - ≥97%(GC) , CAS No.6309-51-9

CAS: 6309-51-9 Cat. No.: I157460 Peso molecular: 270.46 Número EC: 228-626-1

GRADE & PURITY ≥97%(GC)

Synonyms

ISOAMYL LAURATE [INCI] | Isoamyl laurate, >=97% | Lauric acid, isopentyl ester | MFCD00048429 | HY-W127542 | InChI=1/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H | Isopentyl dodecylate | ISOAMYLLAURATE | iso-Amyl n-dodecanoat

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

ISOAMYL LAURATE [INCI] | Isoamyl laurate, >=97% | Lauric acid, isopentyl ester | MFCD00048429 | HY-W127542 | InChI=1/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H, 4-15H2, 1-3H | Isopentyl dodecylate | ISOAMYLLAURATE | iso-Amyl n-dodecanoat

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488183490
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183490
• Sonrisas canónicas: CCCCCCCCCCCC(=O)OCCC(C)C
• IUPAC Name: 3-methylbutyl dodecanoate
• InChIKey: FVKRIDSRWFEQME-UHFFFAOYSA-N
• INCHI: 1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3
• Isómeros SMILES: CCCCCCCCCCCC(=O)OCCC(C)C
• Peso molecular: 270.46
• Reaxy-Rn: 6858295
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6858295&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: laurate ester - fatty acid ester

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 inflamación (°F): 164°C(lit.)
• Punto de inflamación (°C): 164°C(lit.)
• Punto de ebullición (°C): 170°C/2mmHg
• Peso molecular: 270.500 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• 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: 199.000
• 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