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

CAS: 26896-20-8 Cat. No.: N483713 Formula: C₁₀H₂₀O₂ Peso molecolare: 172.27 Numero EC: 248-093-9

GRADE & PURITY 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

Specifications

Sinonimi

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

Specifiche e purezza

Reagent grade

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Reagent Grade

Nomi e identificatori

Sorrisi canonici

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)

Isomeri SMILES

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

CAS alternativo

26896-20-8

Peso molecolare

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
    • 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: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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

Domande frequenti

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.