9-Hydroxynonanoic acid - ≥95% , CAS No.3788-56-5

CAS: 3788-56-5 Cat. No.: C133682 Formula: C₉H₁₈O₃ Peso molecolare: 174.24 Numero EC: 635-739-3

GRADE & PURITY ≥95%

Synonyms

DTXSID50191316 | 9-hydroxy pelargonic acid | FT-0635019 | SY022017 | 9-Hydroxynonanoic acid | 9-Hydroxy-nonanoic acid | LMFA01050028 | 9-hydroxynonanoic acid, AldrichCPR | HV672SU12G | 8-Carboxyoctanol | CHEBI:79121 | AFZMICRBFKZNIH-UHFFFAOYSA-N | Nonanoi

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

DTXSID50191316 | 9-hydroxy pelargonic acid | FT-0635019 | SY022017 | 9-Hydroxynonanoic acid | 9-Hydroxy-nonanoic acid | LMFA01050028 | 9-hydroxynonanoic acid, AldrichCPR | HV672SU12G | 8-Carboxyoctanol | CHEBI:79121 | AFZMICRBFKZNIH-UHFFFAOYSA-N | Nonanoi

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

488187982

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187982

Sorrisi canonici

C(CCCCO)CCCC(=O)O

IUPAC Name

9-hydroxynonanoic acid

InChIKey

AFZMICRBFKZNIH-UHFFFAOYSA-N

INCHI

1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)

Isomeri SMILES

C(CCCCO)CCCC(=O)O

Peso molecolare

174.24

Reaxy-Rn

1759507

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759507&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Hydroxy acids and derivatives
      • Subclass Medium-chain hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Hydroxy acids and derivatives
• Subclass: Medium-chain hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain hydroxy acids and derivatives
• Alternative Parents: Medium-chain fatty acids Hydroxy fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Straight chain fatty acid - Fatty acyl - Fatty acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
• External Descriptors: Hydroxy 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

Proprietà chimiche e fisiche

• Peso molecolare: 174.240 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 174.126 Da
• Monoisotopic Mass: 174.126 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 112.000
• 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 is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 3788-56-5, the molecular formula is C9H18O3, and the molecular weight is 174.24 g/mol. InChIKey AFZMICRBFKZNIH-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.