2-Hexadecyloctadecanoic Acid - ≥98% , CAS No.89547-15-9

CAS: 89547-15-9 Cat. No.: H405741 分子式: C₃₄H₆₈O₂ 分子量: 508.92 EC番号: 679-989-1

GRADE & PURITY ≥98%

Synonyms

2-Hexadecylstearic acid | 2-Hexadecyloctadecanoicacid | DTXSID60347726 | LPZKXVVBAZTEMK-UHFFFAOYSA-N | H0837 | 2-Hexadecyloctadecanoic acid | 2-Hexadecyl-octadecanoic Acid | SCHEMBL313999 | AI-942/42301824 | AKOS015839812 | MFCD00191519 | 2-n-hexadecylste

Storage

Room temperature

Specifications

同義語

2-Hexadecylstearic acid | 2-Hexadecyloctadecanoicacid | DTXSID60347726 | LPZKXVVBAZTEMK-UHFFFAOYSA-N | H0837 | 2-Hexadecyloctadecanoic acid | 2-Hexadecyl-octadecanoic Acid | SCHEMBL313999 | AI-942/42301824 | AKOS015839812 | MFCD00191519 | 2-n-hexadecylste

仕様と純度

≥98%

保管条件

Room temperature

純度

≥98%

名前と識別子

• カノニカル・スマイル: CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)O
• IUPAC Name: 2-hexadecyloctadecanoic acid
• InChIKey: LPZKXVVBAZTEMK-UHFFFAOYSA-N
• INCHI: 1S/C34H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34(35)36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H,35,36)
• 異性体SMILES: CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)O
• 分子量: 508.92
• Reaxy-Rn: 1807011
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1807011&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Branched fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Not available

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

化学的性質と物理的性質

• 溶解度: Solubility in hot Toluene almost transparency
• 沸点（°C）: 350 °C/2.5 mmHg
• 融点（°C）: 79 °C
• 分子量: 508.900 g/mol
• XLogP3: 16.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 31
• Exact Mass: 508.522 Da
• Monoisotopic Mass: 508.522 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 387.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 89547-15-9, the molecular formula is C34H68O2, and the molecular weight is 508.92 g/mol. InChIKey LPZKXVVBAZTEMK-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.