γ-Decanolactone - ≥98% , CAS No.706-14-9

CAS: 706-14-9 Cat. No.: D101437 Fórmula: C₁₀H₁₈O₂ Peso molecular: 170.25 Número CE: 211-892-8

GRADE & PURITY ≥98%

Synonyms

Decanolide-1,4 | Hydroxydecanoic acid, gamma-lactone | 5-Hexyl-dihydro-furan-2-one | Decanoic acid, gamma-lactone | .gamma.-Decanolide | 4-Hexyl-.gamma.-butyrolactone | gamma-Decalactone, >=98%, FCC, FG | NSC 26510 | Q423956 | UNII-7HLS05KP9O | gamma-N-He

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Decanolide-1,4 | Hydroxydecanoic acid, gamma-lactone | 5-Hexyl-dihydro-furan-2-one | Decanoic acid, gamma-lactone | .gamma.-Decanolide | 4-Hexyl-.gamma.-butyrolactone | gamma-Decalactone, >=98%, FCC, FG | NSC 26510 | Q423956 | UNII-7HLS05KP9O | gamma-N-He

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504752395
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752395
• Sorrisos canónicos: CCCCCCC1CCC(=O)O1
• IUPAC Name: 5-hexyloxolan-2-one
• InChIKey: IFYYFLINQYPWGJ-UHFFFAOYSA-N
• INCHI: 1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3
• SMILES isoméricas: CCCCCCC1CCC(=O)O1
• WGK Alemanha: 1
• RTECS: LU4600000
• Peso molecular: 170.25
• Reaxy-Rn: 117547
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=117547&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
• Descrição: 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: 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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.4488
• Ponto de inflamação (°F): 276.8 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 281°C
• Peso molecular: 170.250 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 170.131 Da
• Monoisotopic Mass: 170.131 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 143.000
• 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

Referências

1. Xuewei Jia, Yuan Gao, Hui Xi, Chun Cui, Xiao Yang, Baojiang He, Chunping Xu, Mingqi Gao, Tianxiao Li.  (2025)  A flavor imitation method for Osmanthus aroma based on molecular docking screening and odor activity value analysis.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2025.117697]

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% 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 706-14-9, the molecular formula is C10H18O2, and the molecular weight is 170.25 g/mol. InChIKey IFYYFLINQYPWGJ-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.