Ethyl palmitate - ≥98% , CAS No.628-97-7

CAS: 628-97-7 Cat. No.: E103505 Formula: C₁₈H₃₆O₂ Molecular Weight: 284.48 Beilstein Registry Number: 1782663 EC Number: 211-064-6

GRADE & PURITY ≥98%

Synonyms

Hexadecanoic acid,ethyl ester|ETHYL PALMITATE [FHFI]|ETHYL PALMITATE [USP-RS]|Palmitic acid, ethyl ester|WE(2:0/16:0)|Palmitic acid ethyl ester|ETHYL PALMITATE [INCI]|Ethyl Palmitate; Hexadecanoic acid ethyl ester|3-trifluoromethyl-o-toluanilide|hexadecanoic acid-ethyl ester|hexadecanoic acid ethyl ester|HEXADECANOIC ACID,ETHYL ESTER MFC18 H36 O2|ETHYL PALMITATE|Hexadecanoic acid, ethyl ester|Ethyl hexadecanoate (ethyl palmitate)|Ethyl hexadecanoate|Ethyl n-hexadecanoate|Ethyl cetylate|Palmitic acid, ethyl ester (8CI)|Ethyl palmitate (natural)|HEXADECANOIC ACID,ETHYL ESTER MFC18 H36 O2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Hexadecanoic acid,ethyl ester | ETHYL PALMITATE [FHFI] | ETHYL PALMITATE [USP-RS] | Palmitic acid, ethyl ester | WE(2:0/16:0) | Palmitic acid ethyl ester | ETHYL PALMITATE [INCI] | Ethyl Palmitate; Hexadecanoic acid ethyl ester | 3-trifluoromethyl-o-toluanilide | hexadecanoic acid-ethyl ester | hexadecanoic acid ethyl ester | HEXADECANOIC Show more

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Product Line

E103505-5ml

Names and Identifiers

Pubchem Sid

488181639

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181639

Canonical Smiles

CCCCCCCCCCCCCCCC(=O)OCC

IUPAC Name

ethyl hexadecanoate

InChIKey

XIRNKXNNONJFQO-UHFFFAOYSA-N

INCHI

1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC

WGK Germany

3

Molecular Weight

284.48

Beilstein

1782663

Reaxy-Rn

1782663

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1782663&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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: Wax monoesters

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

Chemical and Physical Properties

• Solubility: Miscible with ethanol, dimethyl sulfoxide, chloroform and ethyl acetate. Immiscible with water.
• Freezing Point(°C): 23 °C
• Refractive Index: 1.4347
• Flash Point(°F): >235.4 °F
• Flash Point(°C): >113 °C
• Boil Point(°C): 192-193°C
• Melt Point(°C): 24°C
• Molecular Weight: 284.500 g/mol
• XLogP3: 7.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 284.272 Da
• Monoisotopic Mass: 284.272 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 202.000
• 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