Undecylenic Acid Sodium Salt - ≥97% , CAS No.3398-33-2

CAS: 3398-33-2 Cat. No.: U339578 Molecular Weight: 206.26 EC Number: 222-264-8 PubChem CID: 23667258

GRADE & PURITY ≥97%

Synonyms

SODIUM DERIVATIVE OF 10-UNDECENOATE | SODIUM UNDECYLENATE [INCI] | SODIUM UNDECYLENATE [WHO-DD] | 10-Undecenoic acid, sodium salt | 10-Undecenoic acid, sodium salt (1:1) | HY-W127452 | Sodium undecylenate, AldrichCPR | SODIUM UNDECYLENATE [VANDF] | Sodium

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

SODIUM DERIVATIVE OF 10-UNDECENOATE | SODIUM UNDECYLENATE [INCI] | SODIUM UNDECYLENATE [WHO-DD] | 10-Undecenoic acid, sodium salt | 10-Undecenoic acid, sodium salt (1:1) | HY-W127452 | Sodium undecylenate, AldrichCPR | SODIUM UNDECYLENATE [VANDF] | Sodium

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504769535
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769535
• Canonical Smiles: C=CCCCCCCCCC(=O)[O-].[Na+]
• IUPAC Name: sodium;undec-10-enoate
• InChIKey: DKYPZNSPQXLRRQ-UHFFFAOYSA-M
• INCHI: 1S/C11H20O2.Na/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1
• Isomeric SMILES: C=CCCCCCCCCC(=O)[O-].[Na+]
• PubChem CID: 23667258
• Molecular Weight: 206.26

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: Unsaturated fatty acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Unsaturated fatty acid - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Carbonyl group - Organic salt - Organic sodium salt - Organic oxygen compound - Organic cation - 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: 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

Chemical and Physical Properties

• Solubility: Soluble in water.
• Refractive Index: n20D~1.46 (Predicted)
• Molecular Weight: 206.260 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 206.128 Da
• Monoisotopic Mass: 206.128 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 146.000
• 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: 2

XLogP3