Butyl Palmitate - ≥95%(GC) , CAS No.111-06-8

CAS: 111-06-8 Cat. No.: B153067 Formule: C₂₀H₄₀O₂ Poids moléculaire: 312.54 Beilstein Registry Number: 2(4)1167 Numéro CE: 203-829-8

GRADE & PURITY ≥95%(GC)

Synonyms

n-Butyl hexadecanoate | Butyl ester of hexadecanoic acid | EINECS 203-829-8 | FT-0700087 | DUQ37A5I26 | Hexadecanoic acid, butyl ester | HY-W127338 | UNII-DUQ37A5I26 | CHEBI:132549 | AKOS016358294 | P0649 | hexadecanoic acid butyl ester | AI3-07959 | Q247

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

n-Butyl hexadecanoate | Butyl ester of hexadecanoic acid | EINECS 203-829-8 | FT-0700087 | DUQ37A5I26 | Hexadecanoic acid, butyl ester | HY-W127338 | UNII-DUQ37A5I26 | CHEBI:132549 | AKOS016358294 | P0649 | hexadecanoic acid butyl ester | AI3-07959 | Q247

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%(GC)

Noms et identifiants

Pubchem Sid

504751573

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751573

Sourires canoniques

CCCCCCCCCCCCCCCC(=O)OCCCC

IUPAC Name

butyl hexadecanoate

InChIKey

GLYJVQDYLFAUFC-UHFFFAOYSA-N

INCHI

1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3

Isomères SMILES

CCCCCCCCCCCCCCCC(=O)OCCCC

Poids moléculaire

312.54

Beilstein

2(4)1167

Reaxy-Rn

1788162

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1788162&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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.44
• Point d'ébullition (°C): 170°C/10mmHg(lit.)
• Point de fusion (°C): 14 °C
• Poids moléculaire: 312.500 g/mol
• XLogP3: 8.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 312.303 Da
• Monoisotopic Mass: 312.303 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 226.000
• 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

Foire aux questions

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

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 111-06-8, the molecular formula is C20H40O2, and the molecular weight is 312.54 g/mol. InChIKey GLYJVQDYLFAUFC-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.