Farnesol - CAS 4602-84-0
Catalog: |
BB026058 |
Product Name: |
Farnesol |
CAS: |
4602-84-0 |
Synonyms: |
3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
IUPAC Name: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |
Description: | Farnesol (CAS# 4602-84-0) is an acyclic sesquiterpene alcohol which is used in perfumery due to its sweet and floral scent. Flavoring agent. Antibacterial. |
Molecular Weight: | 222.37 |
Molecular Formula: | C15H26O |
Canonical SMILES: | CC(=CCCC(=CCCC(=CCO)C)C)C |
InChI: | 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 |
InChI Key: | CRDAMVZIKSXKFV-UHFFFAOYSA-N |
Boiling Point: | 319.11 °C (EPI 4.0) |
Melting Point: | < 25 °C |
Purity: | 96.0 % (sum of isomers) |
Density: | 0.886 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Slightly yellow liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
Decomposition: | When heated to decomposition it emits acrid smoke and irritating fumes |
MDL: | MFCD00002918 |
LogP: | 4.39790 |
Refractive Index: | 1.487 : 1.492 at 20 deg C |
Vapor Pressure: | 0.0000394 [mmHg] |
GHS Hazard Statement: | H315 (99.38%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
DE-202021002752-U1 | Functionalized pieces of ice | 20210824 |
JP-2021152083-A | Pest control method | 20210702 |
JP-2021152084-A | Pest control method | 20210702 |
JP-2021152085-A | Pest control method | 20210702 |
CN-113456759-A | Antiperspirant composition, essential oil emulsion containing antiperspirant composition and preparation method of essential oil emulsion | 20210701 |
PMID | Publication Date | Title | Journal |
30806763 | 20190401 | The THP-1 cell toolbox: a new concept integrating the key events of skin sensitization | Archives of toxicology |
30611723 | 20190215 | Farnesol induces fatty acid oxidation and decreases triglyceride accumulation in steatotic HepaRG cells | Toxicology and applied pharmacology |
30662405 | 20180101 | The Potential of Isoprenoids in Adjuvant Cancer Therapy to Reduce Adverse Effects of Statins | Frontiers in pharmacology |
27965148 | 20170401 | An in vitro skin sensitization assay termed EpiSensA for broad sets of chemicals including lipophilic chemicals and pre/pro-haptens | Toxicology in vitro : an international journal published in association with BIBRA |
27225895 | 20160801 | Differential Regulation of Gene Expression by Cholesterol Biosynthesis Inhibitors That Reduce (Pravastatin) or Enhance (Squalestatin 1) Nonsterol Isoprenoid Levels in Primary Cultured Mouse and Rat Hepatocytes | The Journal of pharmacology and experimental therapeutics |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 2 |
Exact Mass: | 222.198365449 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.198365449 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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