12-Methyltridecanoic acid - ≥98% , CAS No.2724-57-4

CAS: 2724-57-4 Cat. No.: M333691 Summenformel: C₁₄H₂₈O₂ Molekulargewicht: 228.37 EG-Nummer: 608-066-8

GRADE & PURITY ≥98%

Synonyms

SCHEMBL399776 | HY-131420 | C14:0 iso | FT-0721556 | ISOMYRISTIC ACID | UNII-J1241I451J | YYVJAABUJYRQJO-UHFFFAOYSA-N | 12-Methyltridecansaeure | Q27104512 | (+)-Isomyristic acid | DTXSID30181694 | J1241I451J | PD164116 | A928070 | Clindamycin hydrochlori

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

SCHEMBL399776 | HY-131420 | C14:0 iso | FT-0721556 | ISOMYRISTIC ACID | UNII-J1241I451J | YYVJAABUJYRQJO-UHFFFAOYSA-N | 12-Methyltridecansaeure | Q27104512 | (+)-Isomyristic acid | DTXSID30181694 | J1241I451J | PD164116 | A928070 | Clindamycin hydrochlori

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488190056
• Kanonisches Lächeln: CC(C)CCCCCCCCCCC(=O)O
• IUPAC Name: 12-methyltridecanoic acid
• InChIKey: YYVJAABUJYRQJO-UHFFFAOYSA-N
• INCHI: 1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
• Isomere SMILES: CC(C)CCCCCCCCCCC(=O)O
• WGK Deutschland: 3
• Molekulargewicht: 228.37
• Reaxy-Rn: 1769697
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1769697&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Methyl-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 - Methyl-branched 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
• Beschreibung: 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: Branched fatty acids

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

• Molekulargewicht: 228.370 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 228.209 Da
• Monoisotopic Mass: 228.209 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 164.000
• 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

Häufig gestellte Fragen

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 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 2724-57-4, the molecular formula is C14H28O2, and the molecular weight is 228.37 g/mol. InChIKey YYVJAABUJYRQJO-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.