2-Methyldodecanoic acid - ≥97% , CAS No.2874-74-0

CAS: 2874-74-0 Cat. No.: M695427 Formula: C₁₃H₂₆O₂ Molecular Weight: 214.34 PubChem CID: 102893

GRADE & PURITY ≥97%

Synonyms

2-Methyl Lauric Acid | 2-Methyl-Dodecanoic Acid

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

2-Methyl Lauric Acid | 2-Methyl-Dodecanoic Acid

Specifications & Purity

≥97%

Storage

Room temperature,Desiccated

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Canonical Smiles

CCCCCCCCCCC(C)C(=O)O

IUPAC Name

2-methyldodecanoic acid

InChIKey

ONEKODVPFBOORO-UHFFFAOYSA-N

INCHI

1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h12H,3-11H2,1-2H3,(H,14,15)

Isomeric SMILES

CCCCCCCCCCC(C)C(=O)O

PubChem CID

102893

Molecular Weight

214.34

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-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: Medium-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 medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 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

Chemical and Physical Properties

• Molecular Weight: 214.340 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 214.193 Da
• Monoisotopic Mass: 214.193 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 155.000
• 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

Frequently Asked 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 in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 2874-74-0, the molecular formula is C13H26O2, and the molecular weight is 214.34 g/mol. InChIKey ONEKODVPFBOORO-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.