Butyl stearate - technical grade, 40-60% , CAS No.123-95-5

CAS: 123-95-5 Cat. No.: B102988 Fórmula: C₂₂H₄₄O₂ Peso molecular: 340.58 Beilstein Registry Number: 1792866 Número CE: 204-666-5

GRADE & PURITY Technical grade, 40-60%

Synonyms

EINECS 204-666-5 | Stearic acid-n-butyl ester | FEMA Number 2214 | N-BUTYL STEARATE [HSDB] | Q10442124 | Emerest 2325 | Butyl octadecylate | S0077 | Wilmar butyl stearate | ADK STAB LS-8 | AI3-00398 | Batyl stearate | BUTYL STEARATE | J-005011 | BUTYL STE

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EINECS 204-666-5 | Stearic acid-n-butyl ester | FEMA Number 2214 | N-BUTYL STEARATE [HSDB] | Q10442124 | Emerest 2325 | Butyl octadecylate | S0077 | Wilmar butyl stearate | ADK STAB LS-8 | AI3-00398 | Batyl stearate | BUTYL STEARATE | J-005011 | BUTYL STE

Especificações e pureza

technical grade, 40-60%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Technical grade

Nomes e identificadores

Pubchem Sid

488183156

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183156

Sorrisos canónicos

CCCCCCCCCCCCCCCCCC(=O)OCCCC

IUPAC Name

butyl octadecanoate

InChIKey

ULBTUVJTXULMLP-UHFFFAOYSA-N

INCHI

1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3

SMILES isoméricas

CCCCCCCCCCCCCCCCCC(=O)OCCCC

WGK Alemanha

1

RTECS

WI2900000

Peso molecular

340.58

Beilstein

1792866

Reaxy-Rn

1792866

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1792866&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: 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

Propriedades químicas e físicas

• Solubilidade: Immiscible with water. Miscible with ethanol and acetone
• Sensibilidade: Moisture sensitive.
• Índice de refração: 1.443
• Ponto de inflamação (°F): 320 °F
• Ponto de inflamação (°C): 160℃
• Ponto de ebulição (°C): 343°C
• Ponto de fusão (°C): 27°C
• Peso molecular: 340.600 g/mol
• XLogP3: 9.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 20
• Exact Mass: 340.334 Da
• Monoisotopic Mass: 340.334 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 250.000
• 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