Palmityl palmitate - ≥95% , CAS No.540-10-3

CAS: 540-10-3 Cat. No.: P100623 Formula: C₃₂H₆₄O₂ Molecular Weight: 480.85 EC Number: 208-736-6

GRADE & PURITY ≥95%

Synonyms

Palmatic acid n-hexadecyl ester | SY010863 | C32H64O2 | CETYL PALMITATE [MI] | UNII-5ZA2S6B08X | 1-Hexadecyl hexadecanoate | CETYL PALMITATE [USP-RS] | palmitic acid, cetyl ester | Q409361 | AKOS015903369 | hexadecanyl hexadecanoate | A854487 | EINECS 306

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Palmatic acid n-hexadecyl ester | SY010863 | C32H64O2 | CETYL PALMITATE [MI] | UNII-5ZA2S6B08X | 1-Hexadecyl hexadecanoate | CETYL PALMITATE [USP-RS] | palmitic acid, cetyl ester | Q409361 | AKOS015903369 | hexadecanyl hexadecanoate | A854487 | EINECS 306

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

Pubchem Sid

504752019

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752019

Canonical Smiles

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC

IUPAC Name

hexadecyl hexadecanoate

InChIKey

PXDJXZJSCPSGGI-UHFFFAOYSA-N

INCHI

1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC

RTECS

RT4750000

Molecular Weight

480.85

Reaxy-Rn

1805188

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1805188&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters
        • Level5 Wax esters
          • Level6 Wax monoesters

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

• Boil Point(°C): 360°C
• Melt Point(°C): 52-56°C
• Molecular Weight: 480.800 g/mol
• XLogP3: 15.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 30
• Exact Mass: 480.491 Da
• Monoisotopic Mass: 480.491 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 379.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). 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 540-10-3, the molecular formula is C32H64O2, and the molecular weight is 480.85 g/mol. InChIKey PXDJXZJSCPSGGI-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.