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trans-β-Farnesene - ≥90%, high purity , CAS No.18794-84-8
Basic Description
Synonyms
Tox21_303792 | NCGC00357080-01 | UNII-E5STW643HU | CS-0113875 | (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-Dime
Specifications & Purity
≥90%
Storage Temp
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.
Product Description
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.
Taxonomic Classification
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.
Names and Identifiers
IUPAC Name
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
INCHI
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+
InChIKey
JSNRRGGBADWTMC-NTCAYCPXSA-N
Smiles
CC(=CCCC(=CCCC(=C)C=C)C)C
Isomeric SMILES
CC(=CCC/C(=C/CCC(=C)C=C)/C)C
PubChem CID
5281517
Molecular Weight
204.35
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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
Citations of This Product
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).
2.
Kai Hong, Zhenzhen Xu, Limin Wang, Agbaka Johnpaul, Yongqiang Cheng, Chenyan Lv, Changwei Ma.
(2022)
Varietal differences in the phytochemical components’ accumulation and aroma profile of three Humulus lupulus cultivars. FOOD CONTROL,
132
(108499).
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2 Citations
B2527684