Decanoic acid - AR, ≥99% , CAS No.334-48-5

CAS: 334-48-5 Cat. No.: D109191 Fórmula: C₁₀H₂₀O₂ Peso molecular: 172.26 Beilstein Registry Number: 1754556 Número EC: 206-376-4

CALIDAD & PUREZA AR, ≥99%

Synonyms

Capric acid

Storage

Room temperature

Shipped In

Normal

Descripción general

Decanoic acid, a medium-chain fatty acid, is one of the volatile flavor/aroma constituents that has been identified in apple wine, stored nonfat dry milk and parmesan cheese.
Application
Chemical Characterization of Terpene-Based Hydrophobic Eutectic Solvents and Their Application for Pb(II) Complexation during Solvent Extraction Procedure.

Especificaciones

Sinónimos

Capric acid

Especificaciones y pureza

AR, ≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

AR

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

508813842

Sonrisas canónicas

CCCCCCCCCC(=O)O

IUPAC Name

decanoic acid

InChIKey

GHVNFZFCNZKVNT-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

CCCCCCCCCC(=O)O

WGK Alemania

1

RTECS

HD9100000

Peso molecular

172.26

Beilstein

1754556

Reaxy-Rn

1754556

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754556&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Straight chain 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
• Descripción: 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: Straight chain 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

Objetivos asociados (humanos)

GPR84 Tchem G-protein coupled receptor 84 (0 Activities)

Discover Target: GPR84

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

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HepG2 (196354 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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GMNN Tbio Geminin (128009 Activities)

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UGT1A8 Tbio UDP-glucuronosyltransferase 1-8 (233 Activities)

Discover Target: UGT1A8

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UGT1A10 Tbio UDP-glucuronosyltransferase 1-10 (257 Activities)

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MONO-MAC-6 (495 Activities)

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UGT1A3 Tbio UDP-glucuronosyltransferase 1-3 (217 Activities)

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Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Echinochloa crus-galli (3685 Activities)

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Staphylococcus aureus (210822 Activities)

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Bacillus subtilis (32866 Activities)

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Meloidogyne incognita (862 Activities)

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BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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Bursaphelenchus xylophilus (372 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de congelación (°C): 30 °C
• Índice de refracción: 1.4169
• Punto de inflamación (°F): 296.6 °F
• Punto de inflamación (°C): 147 °C
• Punto de ebullición (°C): 270°C
• Punto de fusión (°C): 31.5°C
• Peso molecular: 172.260 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• 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: 110.000
• 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