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

CAS: 123-95-5 Cat. No.: B102988 Summenformel: C₂₂H₄₄O₂ Molekulargewicht: 340.58 Beilstein Registry Number: 1792866 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

technical grade, 40-60%

Storage

Room temperature

Verschickt in

Normal

Note

Technische Qualität

Namen und Kennungen

• Pubchem Sid: 488183156
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183156
• Kanonisches Lächeln: 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
• Isomere SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCC
• WGK Deutschland: 1
• RTECS: WI2900000
• Molekulargewicht: 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
    • Klasse Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Immiscible with water. Miscible with ethanol and acetone
• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.443
• Flammpunkt (°F): 320 °F
• Flammpunkt (°C): 160℃
• Siedepunkt (°C): 343°C
• Schmelzpunkt (°C): 27°C
• Molekulargewicht: 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