Sodium Decanoate - ≥99% , CAS No.1002-62-6

CAS: 1002-62-6 Cat. No.: S161316 Formula: C₁₀H₁₉NaO₂ Molecular Weight: 194.25 Beilstein Registry Number: 3572740 EC Number: 213-688-4 PubChem CID: 4457968

GRADE & PURITY ≥99%

Synonyms

Decanoic Acid (sodium salt) | Q17437159 | SODIUM CAPRATE [INCI] | UNII-4I820XKV2A | Capric acid sodium salt | F19532 | 4I820XKV2A | EINECS 213-688-4 | HY-115340 | Decanoic acid sodium salt | Caprinic acid sodium salt | Sodium caprate | MFCD00066453 | sodi

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Decanoic Acid (sodium salt) | Q17437159 | SODIUM CAPRATE [INCI] | UNII-4I820XKV2A | Capric acid sodium salt | F19532 | 4I820XKV2A | EINECS 213-688-4 | HY-115340 | Decanoic acid sodium salt | Caprinic acid sodium salt | Sodium caprate | MFCD00066453 | sodi

Specifications & Purity

≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

Pubchem Sid

504763033

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763033

Canonical Smiles

CCCCCCCCCC(=O)[O-].[Na+]

IUPAC Name

sodium;decanoate

InChIKey

FIWQZURFGYXCEO-UHFFFAOYSA-M

INCHI

1S/C10H20O2.Na/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+1/p-1

Isomeric SMILES

CCCCCCCCCC(=O)[O-].[Na+]

WGK Germany

3

RTECS

HE0200000

PubChem CID

4457968

Molecular Weight

194.25

Beilstein

3572740

Reaxy-Rn

3572742

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

• Molecular Weight: 194.250 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 194.128 Da
• Monoisotopic Mass: 194.128 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 115.000
• 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