δ-Hexanolactone - ≥98%(GC) , CAS No.823-22-3

CAS: 823-22-3 Cat. No.: D155361 Summenformel: C₆H₁₀O₂ Molekulargewicht: 114.14 EG-Nummer: 212-511-8

GRADE & PURITY ≥98%(GC)

Synonyms

C8456O4551 | delta-Hexanolide | EN300-29539 | .DELTA.-HEXALACTONE [FHFI] | Hexanoic acid, .delta.-lactone | .delta.-Caprolactone | 6-Methyl-d-valerolactone | Hexanoic acid, 5-hydroxy-, .delta.-lactone | Hexanolactone | 5-Methyl-delta-valerolactone | AS-56

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

C8456O4551 | delta-Hexanolide | EN300-29539 | .DELTA.-HEXALACTONE [FHFI] | Hexanoic acid, .delta.-lactone | .delta.-Caprolactone | 6-Methyl-d-valerolactone | Hexanoic acid, 5-hydroxy-, .delta.-lactone | Hexanolactone | 5-Methyl-delta-valerolactone | AS-56

Spezifikationen & Reinheit

≥98%(GC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488181811
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181811
• Kanonisches Lächeln: CC1CCCC(=O)O1
• IUPAC Name: 6-methyloxan-2-one
• InChIKey: RZTOWFMDBDPERY-UHFFFAOYSA-N
• INCHI: 1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3
• Isomere SMILES: CC1CCCC(=O)O1
• Molekulargewicht: 114.14
• Reaxy-Rn: 80501
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=80501&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Lactones
      • Subclass Delta valerolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Lactones
• Subclass: Delta valerolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Delta valerolactones
• Alternative Parents: Oxanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Delta_valerolactone - Delta valerolactone - Oxane - 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 delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Immiscible with water.Chloroform (Slightly), Methanol (Slightly)
• Empfindlichkeit: Moisture sensitive
• Brechungsindex: 1.452
• Flammpunkt (°F): 221°F
• Flammpunkt (°C): 105°C
• Siedepunkt (°C): 115°C/22mmHg
• Schmelzpunkt (°C): 18℃
• Molekulargewicht: 114.140 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 98.700
• 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. Xiaoying Li, Chunsheng Liu, Junkai Wu, Kai Su, Xiao Xiao, Libin Zhang, B. Loye Eberhart, Caixia Chen, Fuhang Song.  (2025)  Comprehensive investigation on the dynamic changes of volatile organic compounds in three peach cultivars during fruit development.  FOOD RESEARCH INTERNATIONAL,      [PMID:40022387] [10.1016/j.foodres.2025.115866]

2. Xiaoying Li, Gang Li, Haijing Wang, Chunsheng Liu, Chunrui Rong, Fuhang Song, Caixia Chen, Junkai Wu.  (2025)  Characterization of volatile flavor profiles in three peach cultivars during postharvest storage at various temperatures using HS-SPME-GC–MS.  Food Chemistry-X,      [PMID:40497035] [10.1016/j.fochx.2025.102554]

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 823-22-3, the molecular formula is C6H10O2, and the molecular weight is 114.14 g/mol. InChIKey RZTOWFMDBDPERY-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.