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

CAS: 706-14-9 Cat. No.: D101437 分子式: C₁₀H₁₈O₂ 分子量: 170.25 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 504752395
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504752395
• カノニカル・スマイル: 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
• 異性体SMILES: CCCCCCC1CCC(=O)O1
• WGKドイツ: 1
• RTECS: LU4600000
• 分子量: 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
    • 分類 Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.4488
• 引火点（°F）: 276.8 °F
• 引火点（°C）: 113 °C
• 沸点（°C）: 281°C
• 分子量: 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

参考文献

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]

よくある質問

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.