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CAS No.: | 3796-70-1 |
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Name: | Geranylacetone |
Article Data: | 66 |
Molecular Structure: | |
Formula: | C13H22O |
Molecular Weight: | 194.317 |
Synonyms: | (E)-6,10-Dimethyl-5,9-undecadien-2-one;(E)-Geranylacetone;6,10-Dimethyl-(E)-5,9-undecadien-2-one;trans-6,10-Dimethyl-5,9-undecadien-2-one; |
EINECS: | 223-269-8 |
Density: | 0.856 g/cm3 |
Boiling Point: | 256.038 °C at 760 mmHg |
Flash Point: | 107.443 °C |
Appearance: | 26-37/39-36 |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39-36 |
PSA: | 17.07000 |
LogP: | 4.04830 |
(E)-2-acetyl-5,9-dimethyldeca-4,8-dienoic acid ethyl ester
trans geranyl acetone
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol; water for 3h; Reflux; | 95% |
With potassium hydroxide In methanol Reflux; | 85% |
Multi-step reaction with 2 steps 1: aq. NaOH / 1.) rt, 2 h; 60 deg C, overnight 2: benzene / 1 h / Heating View Scheme | |
With methanol; potassium hydroxide at 80℃; Inert atmosphere; |
Conditions | Yield |
---|---|
With polystyrene-supported(cathecholato)oxoRe cat. act. by iPrOH; dimethyl sulfoxide In toluene for 4h; Heating; Dean-Stark apparatus; | 93% |
With pyridinium chlorochromate |
(E)-6,10-Dimethyl-3-(toluene-4-sulfonyl)-undeca-5,9-dien-2-one
trans geranyl acetone
Conditions | Yield |
---|---|
With disodium hydrogenphosphate; sodium amalgam In methanol at 0℃; for 2h; | 90% |
(E)-6,10-dimethyl-5,9-undecadien-2-ol
ethylene glycol
A
(5E)-6,10-dimethylundeca-5,9-dien-2-one ethylene acetal
B
trans geranyl acetone
Conditions | Yield |
---|---|
With dimethyl sulfoxide; [ReOCl3(PPh3)2] In toluene for 5h; Heating; | A 82% B 6% |
C25H32S2
trans geranyl acetone
Conditions | Yield |
---|---|
With water; mercury dichloride In acetonitrile for 2h; | 80% |
3-methoxycarbonyl-6,10-dimethyl-E,E-5,9-undecadien-2-one
trans geranyl acetone
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol; water at 20℃; for 4h; Decarboxylation; | 65% |
Conditions | Yield |
---|---|
Stage #1: trans-geranyl bromide; ethyl acetoacetate With potassium carbonate In acetone at 70℃; Inert atmosphere; Stage #2: With potassium hydroxide In methanol for 3h; Inert atmosphere; Reflux; | 65% |
Conditions | Yield |
---|---|
With sodium diethylmalonate; ethyl-diphenyl-phosphane; bis(dibenzylideneacetone)-palladium(0) In dimethyl sulfoxide at 100℃; for 18h; | 50% |
acetoacetic acid-(3,7-dimethyl-octa-2,6-dienyl ester)
trans geranyl acetone
Conditions | Yield |
---|---|
With palladium diacetate; sodium hydride; triphenylphosphine In tert-butyl alcohol at 50℃; for 4h; | 44% |
With palladium diacetate; triphenylphosphine In tert-butyl alcohol at 50℃; for 4h; | 44% |
Molecular Structure of 5,9-Undecadien-2-one,6,10-dimethyl-, (5E)- (CAS NO.3796-70-1):
IUPAC Name: (5E)-6,10-dimethylundeca-5,9-dien-2-one
Molecular Formula: C13H22O
Molecular Weight: 194.31
CAS Registry Number: 3796-70-1
EINECS: 223-269-8
FEMA: 3542
BRN: 1722277
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.459
Molar Refractivity: 62.1 cm3
Molar Volume: 227 cm3
Surface Tension: 27.7 dyne/cm
Density: 0.855 g/cm3
Flash Point: 107.4 °C
Enthalpy of Vaporization: 49.35 kJ/mol
Boiling Point: 256 °C at 760 mmHg
Vapour Pressure: 0.0157 mmHg at 25°C
InChI
InChI=1/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
Smiles
C(\CC\C=C(/C)C)(=C\CCC(C)=O)C
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
5,9-Undecadien-2-one,6,10-dimethyl-, (5E)- , with CAS number of 3796-70-1, can be called (5E)-6,10-Dimethyl-5,9-undecadien-2-one ; (E)-6,10-dimethyl-5,9- undecadien-2-one;(E)-geranylacetone ; 10-dimethyl-9-undecadien-2-on(e)-6 ; 2,6-Dimethyl-2,6-undecadien-10-one ; 6,10-dimethyl-(E)-5,9-undecadien-2-one ; 6,10-dimethyl-5,9-undecadien-2-one, (E);9-Undecadien-2-one,6,10-dimethyl-,(E)-5 .