trans-β-Farnesene - ≥90% , CAS No.18794-84-8

CAS: 18794-84-8 Cat. No.: T348266 Molecular Weight: 204.35 EC Number: 242-582-0 PubChem CID: 5281517

GRADE & PURITY ≥90%

Synonyms

Tox21_303792 | NCGC00357080-01 | UNII-E5STW643HU | (Z,E)-.beta.-Farnesene | (6E)-beta-farnesene | DTXSID9047049 | EINECS 278-628-1 | EINECS 242-582-0 | HY-N7364 | E5STW643HU | (6E)-7,11-Dimethyl-3-methylene-1,6,10-dodecatriene | (E)-7,11-Dimethyl-3-methyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

trans-β-Farnesene is the main active constituent of the alarm pheromone in the aphid species. It causes behavioral responses, such as kicking, discontinuation of feeding, moving away, or dropping down among them.

Specifications

Synonyms

Tox21_303792 | NCGC00357080-01 | UNII-E5STW643HU | (Z, E)-.beta.-Farnesene | (6E)-beta-farnesene | DTXSID9047049 | EINECS 278-628-1 | EINECS 242-582-0 | HY-N7364 | E5STW643HU | (6E)-7, 11-Dimethyl-3-methylene-1, 6, 10-dodecatriene | (E)-7, 11-Dimethyl-3-methyl

Specifications & Purity

≥90%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥90%

Names and Identifiers

• Canonical Smiles: CC(=CCCC(=CCCC(=C)C=C)C)C
• IUPAC Name: (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
• InChIKey: JSNRRGGBADWTMC-NTCAYCPXSA-N
• INCHI: 1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+
• Isomeric SMILES: CC(=CCC/C(=C/CCC(=C)C=C)/C)C
• PubChem CID: 5281517
• Molecular Weight: 204.35

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: Alkatetraenes Branched unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Farsesane sesquiterpenoid - Sesquiterpenoid - Alkatetraene - Branched unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Acyclic olefin - Hydrocarbon - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• External Descriptors: Hydrocarbons

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

Chemical and Physical Properties

• Sensitivity: Heat sensitive
• Boil Point(°C): 206° C at 760 mmHg
• Melt Point(°C): <25° C
• Molecular Weight: 204.350 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• 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: 260.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Qincao Chen, Penghui Yu, Ziyi Li, Yuhang Wang, Yafang Liu, Yin Zhu, Haihui Fu.  (2023)  Re-Rolling Treatment in the Fermentation Process Improves the Aroma Quality of Black Tea.  Foods,  12  (19): (3702).  [PMID:37835355] [10.3390/foods12193702]

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. Xinzhe Zhang, Aipeng Li, Xiaohan Huang, Shuqi Guo, Chenyue Zhang, Ramon Gonzalez, Qiang Fei.  (2025)  Metabolic Engineering of Methanotrophic Bacteria for De Novo Production of Taxadiene from Methane.  ACS Synthetic Biology,      [PMID:40658032] [10.1021/acssynbio.5c00109]