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

CAS: 6753-98-6 Cat. No.: A151142 Formula: C₁₅H₂₄ Molecular Weight: 204.36 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

≥93%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥93%

Names and Identifiers

• Pubchem Sid: 504763358
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763358
• Canonical Smiles: 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+
• Isomeric SMILES: C/C/1=C\CC(/C=C/C/C(=C/CC1)/C)(C)C
• WGK Germany: 3
• RTECS: GZ4817500
• Molecular Weight: 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
    • Class Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Associated Targets(Human)

HT-29 (80576 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KB (17409 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Salmonella typhimurium (15756 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Vibrio parahaemolyticus (473 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Listeria monocytogenes (2626 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mycobacterium tuberculosis (203094 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Bacillus cereus (7522 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cutibacterium acnes (887 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Refractive Index: 1.5020 to 1.5040
• Flash Point(°F): 194 °F
• Flash Point(°C): 90°C
• Boil Point(°C): 123°C/10mmHg
• Molecular Weight: 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

References

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]