trans,trans-Farnesol - ≥97% , CAS No.106-28-5

CAS: 106-28-5 Cat. No.: T188987 Molecular Weight: 222.37 EC Number: 679-283-3

GRADE & PURITY ≥97%

Synonyms

(2E, 6E)-3,7,11-trimethyl2,6,10-dodecatrien-1-ol | C01126 | Cyclopropanecarboxylic acid, 3-(2-chloro-2-(4-chlorophenyl)ethenyl)-2,2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester, trans- | NCGC00255293-01 | 2E,6E-Farnesyl alcohol | 2-trans-S-6-tra

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(2E, 6E)-3, 7, 11-trimethyl2, 6, 10-dodecatrien-1-ol | C01126 | Cyclopropanecarboxylic acid, 3-(2-chloro-2-(4-chlorophenyl)ethenyl)-2, 2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester, trans- | NCGC00255293-01 | 2E, 6E-Farnesyl alcohol | 2-trans-S-6-tra

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504758836
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758836
• Canonical Smiles: CC(=CCCC(=CCCC(=CCO)C)C)C
• IUPAC Name: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
• InChIKey: CRDAMVZIKSXKFV-YFVJMOTDSA-N
• INCHI: 1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C
• WGK Germany: 3
• Molecular Weight: 222.37
• Reaxy-Rn: 1763926
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1763926&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: Fatty alcohols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Farsesane sesquiterpenoid - Sesquiterpenoid - Fatty alcohol - Fatty acyl - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - 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: Acyclic farnesane 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)

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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PANC-1 (6144 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)

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

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

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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Associated Targets(non-human)

NA Neuraminidase (1107 Activities)

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Enterococcus durans (113 Activities)

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Streptococcus sobrinus (228 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Salmonella typhimurium (15756 Activities)

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Shigella flexneri (1836 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Proteus mirabilis (3894 Activities)

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Serratia marcescens (3237 Activities)

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Streptococcus mutans (2687 Activities)

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Streptococcus agalactiae (1777 Activities)

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Streptococcus pyogenes (16140 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Enterococcus faecalis (29875 Activities)

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Cutibacterium acnes (887 Activities)

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Candida albicans (78123 Activities)

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Candida parapsilosis (8521 Activities)

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Mus musculus (284745 Activities)

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Myzus persicae (1112 Activities)

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Stenotrophomonas maltophilia (1743 Activities)

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Leptinotarsa decemlineata (1161 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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FTL Ferritin light chain (43324 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): 204.8 °F - closed cup
• Flash Point(°C): 96 °C
• Boil Point(°C): 137℃
• Molecular Weight: 222.370 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 222.198 Da
• Monoisotopic Mass: 222.198 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 265.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

References

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]