neo-decanoic acid - Reagent grade , CAS No.26896-20-8

CAS: 26896-20-8 Cat. No.: N483713 Summenformel: C₁₀H₂₀O₂ Molekulargewicht: 172.27 EG-Nummer: 248-093-9

QUALITÄT & REINHEIT Reagent Grade

Synonyms

AS-17386 | A818664 | H10667 | New decanoate | DECANOIC ACID, TERT- | 2,2-DIMETHYLCAPRYLIC ACID | 3HN3T2UTE6 | SY066765 | 7,7-Dimethyloctanoicacid | 7,7-dimethyloctanoic acid | SCHEMBL23925 | neo-Decanoic acid, prime grade | NEO-DECANOICACID | AKOS00634551

Storage

Room temperature

Spezifikationen

Synonyme

AS-17386 | A818664 | H10667 | New decanoate | DECANOIC ACID, TERT- | 2,2-DIMETHYLCAPRYLIC ACID | 3HN3T2UTE6 | SY066765 | 7,7-Dimethyloctanoicacid | 7,7-dimethyloctanoic acid | SCHEMBL23925 | neo-Decanoic acid, prime grade | NEO-DECANOICACID | AKOS00634551

Spezifikationen & Reinheit

Reagent grade

Storage

Room temperature

Note

Reagent Grade

Namen und Kennungen

Kanonisches Lächeln

CC(C)(C)CCCCCC(=O)O

IUPAC Name

7,7-dimethyloctanoic acid

InChIKey

YPIFGDQKSSMYHQ-UHFFFAOYSA-N

INCHI

1S/C10H20O2/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3,(H,11,12)

Isomere SMILES

CC(C)(C)CCCCCC(=O)O

Alternative CAS-Nummer

26896-20-8

Molekulargewicht

172.27

Reaxy-Rn

1753260

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1753260&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: Medium-chain fatty acids
• Alternative Parents: 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 - 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 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 172.260 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 172.146 Da
• Monoisotopic Mass: 172.146 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 133.000
• 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 does Reagent Grade mean?

Reagent Grade is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Reagent Grade is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 26896-20-8, the molecular formula is C10H20O2, and the molecular weight is 172.27 g/mol. InChIKey YPIFGDQKSSMYHQ-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.