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| CAS No.: | 106-28-5 |
|---|---|
| Name: | (E,E)-Farnesol |
| Molecular Structure: | |
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| Formula: | C15H26O |
| Molecular Weight: | 222.371 |
| Synonyms: | 2,6,10-Dodecatrien-1-ol,3,7,11-trimethyl-(farnesol) (7CI);2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-,(E,E)- (8CI);(2E,6E)-Farnesol;(E)-b-Farnesol;2,6,10-Dodecatrien-1-ol,3,7,11-trimethyl-, (2E,6E)-;2,6-Di-trans-farnesol;2-trans,6-trans-Farnesol;3,7,11-Trimethyldodeca-2-trans,6-trans,10-trien-1-ol;Inhibitor A2;all-E-Farnesol;all-trans-Farnesol;trans,trans-Farnesol;trans-Farnesol; |
| EINECS: | 225-004-1 |
| Density: | 0.875 g/cm3 |
| Melting Point: | 61-63 °C |
| Boiling Point: | 283.4 °C at 760 mmHg |
| Flash Point: | 112.5 °C |
| Solubility: | Miscible with alcohol. Immiscible with water. |
| Hazard Symbols: | Xi |
| Risk Codes: | 43 |
| Safety: | 24/25 |
| PSA: | 20.23000 |
| LogP: | 4.39790 |
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- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
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- 50288-62-5threo-Phenyl-2-piperidyl acetamide
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- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- 19954-66-6
ethyl farnesoate
- 106-28-5
Farnesol
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In diethyl ether at 0 - 20℃; Inert atmosphere; | 95% |
| With lithium aluminium tetrahydride In diethyl ether at 20℃; | 90% |
| With lithium aluminium tetrahydride In diethyl ether | 88% |
| Stage #1: ethyl farnesoate With aluminum (III) chloride; lithium aluminium tetrahydride In diethyl ether at -5℃; for 1h; Stage #2: With sodium hydroxide |
- 372-97-4, 13058-04-3, 25744-33-6, 27248-37-9, 27248-38-0, 40716-68-5
farnesyl pyrophosphate
- 106-28-5
Farnesol
| Conditions | Yield |
|---|---|
| With water; alkaline phosphatase at 37℃; for 5h; Enzymatic reaction; | |
| With calf intestine phosphatase; magnesium chloride In hexane at 30℃; for 2h; pH=7.5; Enzymatic reaction; | |
| With calf intestinal phosphatase; water at 37℃; for 1h; pH=7.9; Enzymatic reaction; |
- 6784-45-8, 67023-85-2, 72132-86-6, 67023-84-1
(2E,6E)-farnesyl chloride
- 106-28-5
Farnesol
| Conditions | Yield |
|---|---|
| With potassium hydroxide; sodium hydroxide In methanol for 24h; Reflux; | 85% |
- 40716-66-3
(E)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol
A
- 3790-71-4
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
B
- 106-28-5
Farnesol
| Conditions | Yield |
|---|---|
| O=W(OR)4-ligand at 180 - 200℃; | |
| Stage #1: (E)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol With vinyl acetate; Amano Lipase PS; C10H10NO6V In toluene at 50℃; for 168h; Enzymatic reaction; Stage #2: With potassium carbonate In methanol at 0℃; for 2h; Overall yield = 67.7 %Chromat.; Optical yield = 78.947 %de; diastereoselective reaction; |
- 72019-02-4
(6E)-3,7,11-trimethyldodeca-2,6,10-trienal
A
- 3790-71-4
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
B
- 106-28-5
Farnesol
| Conditions | Yield |
|---|---|
| With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; formic acid triethylamine complex; N-tosylethylenediamine In ethyl acetate at 20℃; for 20h; Inert atmosphere; Overall yield = 98 %; | |
| With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In chlorobenzene at 130℃; for 72h; Reagent/catalyst; |
- 226090-90-0
(6E)-farnesyl acetate
A
- 3790-71-4
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
B
- 106-28-5
Farnesol
| Conditions | Yield |
|---|---|
| With potassium carbonate In methanol at 0℃; for 2h; Overall yield = 86%; Overall yield = 1.45 mg; | |
| With water; sodium hydroxide In methanol at 20℃; for 0.5h; Reagent/catalyst; Overall yield = 94 percent; Overall yield = 209 mg; |
- 76386-25-9
trans,trans-farnesyl diphenylurethane
- 106-28-5
Farnesol
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol; water for 6h; Heating; | 93% |
- 97344-88-2
isopentenylmagnesium bromide
- 95763-58-9
3,7-dimethyl-8-<(tetrahydro-2H-pyran-2-yl)oxy>-2E,6E-octadien-1-ol
- 106-28-5
Farnesol
| Conditions | Yield |
|---|---|
| With copper(l) iodide In tetrahydrofuran for 12h; | 54% |
- 72019-02-4
(6E)-3,7,11-trimethyldodeca-2,6,10-trienal
- 106-28-5
Farnesol
| Conditions | Yield |
|---|---|
| With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In chlorobenzene at 130℃; for 17.5h; Reagent/catalyst; |
- 61890-77-5
(2E,6E)-1-(tert-butyldimethylsilyloxy)-3,7,1,1-trimethyldodeca-2,6,10-triene
- 106-28-5
Farnesol
| Conditions | Yield |
|---|---|
| With phosphomolybdic acid hydrate; silica gel In tetrahydrofuran at 20℃; for 0.25h; | 97% |
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- 110-77-0Ethanol, 2-(ethylthio)-
- 15894-70-91,6-Bis(cyano-guanidino)hexane
- 80-54-6Benzenepropanal,4-(1,1-dimethylethyl)-a-methyl-
- 2818-66-82H-Benzimidazole-2-thione,5-amino-1,3-dihydro-
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- 104987-11-3Tacrolimus
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- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
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Chemistry
The Molecular Structure of (E,E)-Farnesol (CAS NO.106-28-5):
IUPAC Name: 2,6,10-Dodecatrien-1-ol,3,7,11-trimethyl-, (2E,6E)-
Molecular Formula: C15H26O
Molecular Weight: 222.366340 g/mol
Index of Refraction: 1.485
Molar Refractivity: 72.77 cm3
Molar Volume: 253.8 cm3
Surface Tension: 30.3 dyne/cm
Density: 0.875 g/cm3
Flash Point: 112.5 °C
Enthalpy of Vaporization: 60.62 kJ/mol
Boiling Point: 283.4 °C at 760 mmHg
Vapour Pressure: 0.00037 mmHg at 25 °C
XLogP3-AA: 4.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 7
Exact Mass: 222.198365
MonoIsotopic Mass: 222.198365
Topological Polar Surface Area: 20.2
Heavy Atom Count: 16
Canonical SMILES: CC(=CCCC(=CCCC(=CCO)C)C)C
Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CO)/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/b14-9+,15-11+
InChIKey: CRDAMVZIKSXKFV-YFVJMOTDSA-N
EINECS: 225-004-1
Classification Code: TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]
Uses
(E,E)-Farnesol (CAS NO.106-28-5) can be widely used as perfuming agent in cosmetics. It can also be used as food flavor.
Safety Profile
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: JR4979000
F: 8
Specification
(E,E)-Farnesol (CAS NO.106-28-5) is also named as 2,6-Di-trans-farnesol ; 2-trans,6-trans-Farnesol ; Inhibitor A2 ; all-trans-Farnesol ; trans-Farnesol ; 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (2E,6E)- ; 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (E,E)- . (E,E)-Farnesol (CAS NO.106-28-5) is colorless oily liquid.