2-Methyloctadecanoic acid - ≥97% , CAS No.7217-83-6

CAS: 7217-83-6 Cat. No.: M469593 Formule: C₁₉H₃₈O₂ Poids moléculaire: 298.50 Numéro CE: 230-607-8

GRADE & PURITY ≥97%

Synonyms

alpha-methylstearic acid | Octadecanoic acid, 2-methyl- | (+/-)-2-Methylstearic acid | DL-2-METHYLOCTADECANOIC ACID | .ALPHA.-METHYL STEARIC ACID | 2-METHYLOCTADECANOIC ACID, (+/-)- | CHEBI:144310 | 2-Methyloctadecanoic acid | 2-methyl-octadecanoic acid |

Storage

Room temperature

Specifications

Synonymes

alpha-methylstearic acid | Octadecanoic acid, 2-methyl- | (+/-)-2-Methylstearic acid | DL-2-METHYLOCTADECANOIC ACID | .ALPHA.-METHYL STEARIC ACID | 2-METHYLOCTADECANOIC ACID, (+/-)- | CHEBI:144310 | 2-Methyloctadecanoic acid | 2-methyl-octadecanoic acid |

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: CCCCCCCCCCCCCCCCC(C)C(=O)O
• IUPAC Name: 2-methyloctadecanoic acid
• InChIKey: GBZDALHFANHWOF-UHFFFAOYSA-N
• INCHI: 1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
• Isomères SMILES: CCCCCCCCCCCCCCCCC(C)C(=O)O
• WGK Allemagne: 3
• Poids moléculaire: 298.50
• Reaxy-Rn: 1726783
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726783&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Point de fusion (°C): 55.2-59 °C (lit.)
• Poids moléculaire: 298.500 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 298.287 Da
• Monoisotopic Mass: 298.287 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 226.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% 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 7217-83-6, the molecular formula is C19H38O2, and the molecular weight is 298.50 g/mol. InChIKey GBZDALHFANHWOF-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.