Stearyl Stearate - ≥95% , CAS No.2778-96-3

CAS: 2778-96-3 Cat. No.: S303313 Summenformel: C₃₆H₇₂O₂ Molekulargewicht: 536.96 EG-Nummer: 220-476-5 PubChem CID: 17720

Synonyms

EINECS 220-476-5 | Stearyl stearate, >=98.0% (GC) | J-016884 | Octadecanoyic acid, octadecyl ester | Emalex CC-18 | Octadecanoic acid, octadecyl ester | Loxiol G 30 | WE(18:0/18:0) | FE 78-18 | Hetester 412 | octadecanyl octadecanoate | HY-W127437 | Octad

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

EINECS 220-476-5 | Stearyl stearate, >=98.0% (GC) | J-016884 | Octadecanoyic acid, octadecyl ester | Emalex CC-18 | Octadecanoic acid, octadecyl ester | Loxiol G 30 | WE(18:0/18:0) | FE 78-18 | Hetester 412 | octadecanyl octadecanoate | HY-W127437 | Octad

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Product Line

S303313-5g

Namen und Kennungen

Pubchem Sid

528770255

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770255

Kanonisches Lächeln

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC

IUPAC Name

octadecyl octadecanoate

InChIKey

NKBWPOSQERPBFI-UHFFFAOYSA-N

INCHI

1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3

Isomere SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC

WGK Deutschland

3

PubChem CID

17720

Molekulargewicht

536.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acid esters
        • Ebene5 Wax esters
          • Ebene6 Wax monoesters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Wax esters
• Direct Parent: Wax monoesters
• Alternative Parents: Fatty alcohol esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Wax monoester skeleton - 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
• Beschreibung: This compound belongs to the class of organic compounds known as wax monoesters. These are waxes bearing an ester group at exactly one position.
• External Descriptors: a wax 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

• Flammpunkt (°C): 297ºC
• Schmelzpunkt (°C): 62 - 70ºC
• Molekulargewicht: 537.000 g/mol
• XLogP3: 17.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 34
• Exact Mass: 536.553 Da
• Monoisotopic Mass: 536.553 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 433.000
• 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