γ-Nonalactone - ≥98% , CAS No.104-61-0

CAS: 104-61-0 Cat. No.: N101430 Formule: C₉H₁₆O₂ Poids moléculaire: 156.22 Numéro CE: 203-219-1

GRADE & PURITY ≥98%

Synonyms

gamma-Amyl-gamma-butyrolactone | NCGC00164129-01 | 4-Pentylbutanolide | 4-Pentyl-butanolide | Cocos aldehyde | Dihydro-5-pentyl-2(3H)-furanon | FEMA No. 2781 | gamma-Nonanoic lactone, 97% | gamma-Nonanolactone | Nonanoic acid, 4-hydroxy-, gamma-lactone |

Storage

Room temperature,Desiccated

Shipped In

Normal

Vue d’ensemble

Product Application：
γ-Nonanoic lactone has been used:

In quantitative analysis of oak volatile compounds in aged red wine by headspace solid-phase microextraction-GC-MS method as substrate in serum paraoxonase-1 (PON1) enzyme assay in synthesis of 4-hydroxynonanal via reduction of γ-nonanoic lactone by diisobutylaluminum hydride in toluene.

Specifications

Synonymes

gamma-Amyl-gamma-butyrolactone | NCGC00164129-01 | 4-Pentylbutanolide | 4-Pentyl-butanolide | Cocos aldehyde | Dihydro-5-pentyl-2(3H)-furanon | FEMA No. 2781 | gamma-Nonanoic lactone, 97% | gamma-Nonanolactone | Nonanoic acid, 4-hydroxy-, gamma-lactone |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488180535
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180535
• Sourires canoniques: CCCCCC1CCC(=O)O1
• IUPAC Name: 5-pentyloxolan-2-one
• InChIKey: OALYTRUKMRCXNH-UHFFFAOYSA-N
• INCHI: 1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
• Isomères SMILES: CCCCCC1CCC(=O)O1
• WGK Allemagne: 1
• RTECS: LU3675000
• Poids moléculaire: 156.22
• Reaxy-Rn: 4661493
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4661493&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
• External Descriptors: Lactones

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

Cibles associées (humaines)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water; Soluble in Ether,Alcohol
• Indice de réfraction: 1.447
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 132℃
• Point d'ébullition (°C): 243°C
• Poids moléculaire: 156.220 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 156.115 Da
• Monoisotopic Mass: 156.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 132.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1