γ-Dodecalactone - analytical standard, ≥98.5%(GC) , CAS No.2305-05-7

CAS: 2305-05-7 Cat. No.: D101442 분자식: C₁₂H₂₂O₂ 분자량: 198.3 Beilstein Registry Number: 126680 EC 번호: 218-971-6

GRADE & PURITY Analytical standard, ≥98.5%(GC)

Synonyms

(+/-)-delta-dodecanolactone | .GAMMA,-OCTYL-.GAMMA.-BUTYROLACTONE | 5-octyl-2-oxolanone | 4-HYDROXYDODECANOIC ACID(GAMMA)-LACTONE | .GAMMA.-DODECALACTONE [FHFI] | ?4-Dodecanolide | ?-Dodecalactone | Dodecanoic acid, 4-hydroxy-, .gamma.-lactone | (.+/-.)-4

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

(+/-)-delta-dodecanolactone | .GAMMA,-OCTYL-.GAMMA.-BUTYROLACTONE | 5-octyl-2-oxolanone | 4-HYDROXYDODECANOIC ACID(GAMMA)-LACTONE | .GAMMA.-DODECALACTONE [FHFI] | ?4-Dodecanolide | ?-Dodecalactone | Dodecanoic acid, 4-hydroxy-, .gamma.-lactone | (.+/-.)-4

사양 및 순도

analytical standard, ≥98.5%(GC)

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

순수함

≥98.5%(GC)

이름과 식별자

• Pubchem Sid: 528769189
• 정식 스마일: CCCCCCCCC1CCC(=O)O1
• IUPAC Name: 5-octyloxolan-2-one
• InChIKey: WGPCZPLRVAWXPW-UHFFFAOYSA-N
• INCHI: 1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3
• 이성체 SMILES: CCCCCCCCC1CCC(=O)O1
• WGK 독일: 2
• RTECS: LU3600000
• 분자량: 198.3
• Beilstein: 126680
• Reaxy-Rn: 126680
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=126680&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.452
• 발화점(°F): 109 °C
• 발화점(°C): 109 °C
• 끓는점(°C): 130-132°C
• 녹는점(°C): 17-18°C
• 분자량: 198.300 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 198.162 Da
• Monoisotopic Mass: 198.162 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 166.000
• 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

참고 문헌

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, Chunsheng Liu, Junkai Wu, Xiao Xiao, Libin Zhang, Caixia Chen, Annette S. Wilson, Fuhang Song.  (2024)  Ester-related volatile compounds reveal the diversity and commonalities of different types of late-ripening peaches.  JOURNAL OF FOOD SCIENCE,  89  (3): (1485-1497).  [PMID:38317483] [10.1111/1750-3841.16943]

3. Changyue Deng, Tao Sheng, Hui Zhu, Yujie Wu, Sanxu Shi, Yibin Zhou.  (2025)  Large-ring cyclodextrins for efficient encapsulation of diverse aroma molecules: Exploring mechanism of inclusion complex formation and stabilization.  FOOD CHEMISTRY,      [PMID:40974646] [10.1016/j.foodchem.2025.146441]

4. 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]

5. Yan Zhao, Chen-Yang Shao, Han Yan, Yue Zhang, Qun-Hua Peng, Zhi Lin, Xiao-Ting Zhai, Hai-Peng Lv, Yin Zhu.  (2026)  Unraveling the aromatic essence of baked green tea using sensomics: insights from three representative cultivars.  FOOD CHEMISTRY,      [PMID:41544474] [10.1016/j.foodchem.2026.147878]