α-Caryophyllene - ≥93% , CAS No.6753-98-6

CAS: 6753-98-6 Cat. No.: A151142 分子式: C₁₅H₂₄ 分子量: 204.36 EC番号: 229-816-7

GRADE & PURITY ≥93%

Synonyms

alpha -humulenen | Humulene; -Caryophyllene | 2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene (E,E,E)- | alpha-Humulene, >=96.0% (GC) | Alpha caryophyllene | Alpha-caryophylla-2,8(14)-diene | Cycloundeca-1,4,8-triene,2,6,6,9-tetramethyl- | 2,6,6,9-Tetramethyl

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

α-Humulene is a cyclic sesquiterpene, a main active constituent isolated from plant Cordia verbenacea (Boraginaceae).

Specifications

同義語

alpha -humulenen | Humulene; -Caryophyllene | 2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene (E,E,E)- | alpha-Humulene, >=96.0% (GC) | Alpha caryophyllene | Alpha-caryophylla-2,8(14)-diene | Cycloundeca-1,4,8-triene,2,6,6,9-tetramethyl- | 2,6,6,9-Tetramethyl

仕様と純度

≥93%

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥93%

名前と識別子

• パブケム・シド: 504763358
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504763358
• カノニカル・スマイル: CC1=CCC(C=CCC(=CCC1)C)(C)C
• IUPAC Name: (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
• InChIKey: FAMPSKZZVDUYOS-HRGUGZIWSA-N
• INCHI: 1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
• 異性体SMILES: C/C/1=C\CC(/C=C/C/C(=C/CC1)/C)(C)C
• WGKドイツ: 3
• RTECS: GZ4817500
• 分子量: 204.36
• Reaxy-Rn: 11327564
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11327564&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Humulane sesquiterpenoid - Sesquiterpenoid - Branched unsaturated hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• External Descriptors: Humulane sesquiterpenoids

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

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作用メカニズム

化学的性質と物理的性質

• 感度: air sensitive
• 屈折率: 1.5020 to 1.5040
• 引火点（°F）: 194 °F
• 引火点（°C）: 90°C
• 沸点（°C）: 123°C/10mmHg
• 分子量: 204.350 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 204.188 Da
• Monoisotopic Mass: 204.188 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 287.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1

参考文献

1. Jilai Cui, Xiaoting Zhai, Danyang Guo, Wenkai Du, Ting Gao, Jie Zhou, Wilfried G. Schwab, Chuankui Song.  (2021)  Characterization of Key Odorants in Xinyang Maojian Green Tea and Their Changes During the Manufacturing Process.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:34932338] [10.1021/acs.jafc.1c06473]

2. Kai Hong, Zhenzhen Xu, Limin Wang, Agbaka Johnpaul, Yongqiang Cheng, Chenyan Lv, Changwei Ma.  (2021)  Varietal differences in the phytochemical components’ accumulation and aroma profile of three Humulus lupulus cultivars.  FOOD CONTROL,      [PMID:] [10.1016/j.foodcont.2021.108499]

3. Yuchen Bai, Ningke You, Hongyu Tian, Xuebing Zhao.  (2025)  Characterization of Key Odorants in Hemp Seed Oil Extracted from the Hemp Seeds Roasted Under Various Conditions.  Processes,  13  (2): (530).  [PMID:] [10.3390/pr13020530]

4. Xiaolu Zhou, Ling Xia, Yufei Hu, Gongke Li.  (2026)  Cyclic cataluminescence terpene array sensor based on γ-Al2O3/Eu-BTC for rapid hop origin identification.  FOOD CHEMISTRY,      [PMID:] [10.1016/j.foodchem.2026.150454]