γ-Heptalactone - ≥98% , CAS No.105-21-5

CAS: 105-21-5 Cat. No.: H111340 Summenformel: C₇H₁₂O₂ Molekulargewicht: 128.17 Beilstein Registry Number: 109569 EG-Nummer: 203-279-9

GRADE & PURITY ≥98%

Synonyms

gamma-Heptalactone, >=98%, FCC, FG | gamma-Propyl-gamma-butyrolactone | LMFA07040012 | Dihydro-5-propylfuran-2(3H)-one | 2(3H)-Furanone, dihydro-5-propyl- | FEMA No. 2539 | 5-PROPYLDIHYDRO-2-FURANONE | AS-61574 | 5-propyloxolan-2-one | Heptan-4-olide | Q2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

gamma-Heptalactone, >=98%, FCC, FG | gamma-Propyl-gamma-butyrolactone | LMFA07040012 | Dihydro-5-propylfuran-2(3H)-one | 2(3H)-Furanone, dihydro-5-propyl- | FEMA No. 2539 | 5-PROPYLDIHYDRO-2-FURANONE | AS-61574 | 5-propyloxolan-2-one | Heptan-4-olide | Q2

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488180549
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180549
• Kanonisches Lächeln: CCCC1CCC(=O)O1
• IUPAC Name: 5-propyloxolan-2-one
• InChIKey: VLSVVMPLPMNWBH-UHFFFAOYSA-N
• INCHI: 1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3
• Isomere SMILES: CCCC1CCC(=O)O1
• WGK Deutschland: 2
• RTECS: LU3697000
• Molekulargewicht: 128.17
• Beilstein: 109569
• Reaxy-Rn: 109569
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109569&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.442
• Flammpunkt (°F): 110°C
• Flammpunkt (°C): 110°C
• Siedepunkt (°C): 61-62°C
• Molekulargewicht: 128.169 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 109.000
• 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

Referenzen

1. Wenyi Duan, Zhenyu Yao, Chengkui Qiao, Junren Meng, Shihang Sun, Lei Pan, Liang Niu, Guochao Cui, Zhiqiang Wang, Wenfang Zeng.  (2025)  Combined volatile metabolome and transcriptome analysis of 60 peach cultivars provide new insights into the formation of aroma and the identification of associated genes.  Horticultural Plant Journal,      [PMID:] [10.1016/j.hpj.2024.12.005]

Häufig gestellte Fragen

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 105-21-5, the molecular formula is C7H12O2, and the molecular weight is 128.17 g/mol. InChIKey VLSVVMPLPMNWBH-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.