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Basic Description
| Synonyms | hexadecanyl octadecanoate | SCHEMBL60589 | cetyl alcohol stearate | CETYL STEARATE [INCI] | Cetyl stearate | Hexadecyl stearate | CHEBI:75631 | Octadecanoic acid, 1-hexadecyl ester | 06RI5UQA7L | BP-29813 | Stearic acid, hexadecyl ester | Octadecanoic aci |
|---|---|
| Specifications & Purity | ≥95% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
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Subclass
Fatty acid esters
- Level5 Wax esters
- Level6 Wax monoesters
- Level5 Wax esters
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Subclass
Fatty acid esters
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
| 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 |
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Names and Identifiers
| Pubchem Sid | 488184618 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184618 |
| IUPAC Name | hexadecyl octadecanoate |
| INCHI | InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3 |
| InChIKey | SSZBUIDZHHWXNJ-UHFFFAOYSA-N |
| Smiles | CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC |
| Isomeric SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC |
| Molecular Weight | 508.9 |
| Reaxy-Rn | 1806382 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1806382&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2512124 |
Certificate of Analysis | Nov 03, 2022 | C346886 |
| C2304689 |
Certificate of Analysis | Nov 03, 2022 | C346886 |
| C2304667 |
Certificate of Analysis | Nov 03, 2022 | C346886 |
| C2304668 |
Certificate of Analysis | Nov 03, 2022 | C346886 |
| C2304670 |
Certificate of Analysis | Nov 03, 2022 | C346886 |
Chemical and Physical Properties
| Solubility | Chloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly) |
|---|---|
| Melt Point(°C) | 56-58°C |
| Molecular Weight | 508.900 g/mol |
| XLogP3 | 16.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 32 |
| Exact Mass | 508.522 Da |
| Monoisotopic Mass | 508.522 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 406.000 |
| 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 |
Solution Calculators
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