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CAS No.: | 504-20-1 |
---|---|
Name: | 2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE |
Article Data: | 73 |
Molecular Structure: | |
Formula: | C9H14 O |
Molecular Weight: | 138.21 |
Synonyms: | 2,6-Dimethyl-2,5-heptadien-4-one;Diisobutenyl ketone; Diisopropylidene acetone; Foron; NSC 38718; NSC 403517;Phorone; sym-Diisopropylidene acetone |
EINECS: | 207-986-3 |
Density: | 0.885 |
Melting Point: |
23-26 °C(lit.) |
Boiling Point: |
198-199 °C(lit.) |
Flash Point: | 79 ºC |
Safety: | Moderately toxic by subcutaneous route. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ISOPHORONE. |
PSA: | 17.07000 |
LogP: | 2.48790 |
Conditions | Yield |
---|---|
With aluminium tris(2,6-diphenylphenoxide); n-butyllithium; diisobutylaluminium hydride In toluene at -78 - 25℃; for 0.25h; Yields of byproduct given; | A 99% B n/a |
1-benzyl-2,2,6,6-tetramethylpiperidine-4-one
phorone
Conditions | Yield |
---|---|
With C20H29ClO2P2Pt In water; toluene at 105℃; for 5h; Reagent/catalyst; | 90% |
acetone
A
4-methyl-pent-3-en-2-one
B
phorone
C
4-Hydroxy-4-methyl-2-pentanone
Conditions | Yield |
---|---|
With titanium tetrachloride; NCNMe2 In benzene at 25℃; | A 82% B 2% C 8% |
With sodium hydroxide In benzene at 40℃; Mechanism; Kinetics; benzyltriethylammonium chloride presence; | |
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In benzene at 40℃; reaction order, effect of concentration on the initial rate; | |
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In benzene at 40℃; Mechanism; effect concentrations, initial rate; | |
With MgO/ZrO2 mixed oxides at 249.84℃; |
1,2,2,6,6-pentamethyl-4-piperidone methiodide
phorone
Conditions | Yield |
---|---|
With potassium hydroxide In water for 1h; | 55% |
A
phorone
B
(E)-2,5-dimethyl-2,5-heptadien-4-one
C
2,6-dimethyl-hepta-1,5-dien-4-one
Conditions | Yield |
---|---|
With potassium hydride In N,N,N,N,N,N-hexamethylphosphoric triamide at 80℃; | A 20% B 4% C 47% D 8% |
Conditions | Yield |
---|---|
With sodium In tetrahydrofuran Ambient temperature; Reductive dimerization, other metal, using irradiation; | A n/a B 10% |
2,6-dimethyl-4-(2'-propenyl)-1,6-heptadien-4-ol
A
phorone
B
6-methyl-hepta-1,5-dien-4-one
C
2,6-dimethyl-hepta-1,5-dien-4-one
D
(5E)-2-methyl-1,5-heptadien-4-one
Conditions | Yield |
---|---|
With potassium hydride In N,N,N,N,N,N-hexamethylphosphoric triamide at 80℃; Yield given; | A n/a B 1% C n/a D 4% |
6-hydroxy-2,6-dimethyl-hept-2-en-4-one
A
3,5,5-Trimethylcyclohex-2-en-1-one
B
phorone
Conditions | Yield |
---|---|
beim Erhitzen unter gewoehnlichem Druck; |
Conditions | Yield |
---|---|
With sulfuric acid at 80℃; |
3,5-dibromo-2,6-dimethylhepta-2,5-dien-4-one
A
phorone
B
3-methyl-1-[4,4,5,5-tetramethyl-2-(2-methyl-propenyl)-cyclopent-1-enyl]-but-2-en-1-one
Conditions | Yield |
---|---|
With hydrogenchloride; amalgamated zinc |
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Phorone is a yellow crystalline substance with a geranium odor. It is a self-condensation product of acetone. It has some synonyms like 2,5-Heptadien-4-one,2,6-dimethyl-;2,6-dimethyl-5-heptadien-4-one;2,6-dimethyl-hepta-2,5-dien-4-one;5-Heptadien-4-one,2,6-dimethyl-2;Diisobutenyl ketone;diisobutenylketone;diisopropylidineacetone;Foron,and so on.
Molecular Formula: C9H14O
Molecular Weight: 138.21
EINECS: 207-986-3
Melting point: 23-26 °C(lit.)
Boiling point: 198-199 °C(lit.)
Density: 0.885 g/mL at 25 °C(lit.)
Vapor density: 4.8 (vs air)
Vapor pressure: 0.38 mm Hg ( 20 °C)
Refractive index: n20/D 1.497(lit.)
Flash point: 175 °F
Merck: 7333
1. | scu-rbt LDLo:700 mg/kg | AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. 56 (1906),346. |
RTECS: MI5500000
Moderately toxic by subcutaneous route. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
WGK Germany: 3