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Cas Database |
| Name |
2,6-Dimethyl-2,5-heptadien-4-one |
EINECS | 207-986-3 |
| CAS No. | 504-20-1 | Density | 0.885 |
| PSA | 17.07000 | LogP | 2.48790 |
| Solubility | N/A | Melting Point |
23-26 °C(lit.) |
| Formula | C9H14 O | Boiling Point |
198-199 °C(lit.) |
| Molecular Weight | 138.21 | Flash Point | 79 ºC |
| Transport Information | N/A | Appearance | N/A |
| 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. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,6-Dimethyl-2,5-heptadien-4-one;Diisobutenyl ketone; Diisopropylidene acetone; Foron; NSC 38718; NSC 403517;Phorone; sym-Diisopropylidene acetone |
Article Data | 73 |
2,6-Dimethyl-2,5-heptadien-4-one Synthetic route
| 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 |
- 52981-86-9
1-benzyl-2,2,6,6-tetramethylpiperidine-4-one
- 504-20-1
phorone
| Conditions | Yield |
|---|---|
| With C20H29ClO2P2Pt In water; toluene at 105℃; for 5h; Reagent/catalyst; | 90% |
- 67-64-1
acetone
A
- 141-79-7
4-methyl-pent-3-en-2-one
B
- 504-20-1
phorone
C
- 123-42-2
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℃; |
- 113308-50-2
1,2,2,6,6-pentamethyl-4-piperidone methiodide
- 504-20-1
phorone
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water for 1h; | 55% |
A
- 504-20-1
phorone
B
- 115819-23-3
(E)-2,5-dimethyl-2,5-heptadien-4-one
C
- 5837-45-6
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% |
- 81925-78-2
2,6-dimethyl-4-(2'-propenyl)-1,6-heptadien-4-ol
A
- 504-20-1
phorone
B
- 33698-67-8
6-methyl-hepta-1,5-dien-4-one
C
- 5837-45-6
2,6-dimethyl-hepta-1,5-dien-4-one
D
- 115818-79-6
(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% |
- 5857-71-6
6-hydroxy-2,6-dimethyl-hept-2-en-4-one
A
- 78-59-1
3,5,5-Trimethylcyclohex-2-en-1-one
B
- 504-20-1
phorone
| Conditions | Yield |
|---|---|
| beim Erhitzen unter gewoehnlichem Druck; |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 80℃; |
- 5682-79-1
3,5-dibromo-2,6-dimethylhepta-2,5-dien-4-one
A
- 504-20-1
phorone
B
- 71500-18-0
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 |
2,6-Dimethyl-2,5-heptadien-4-one Chemical Properties
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
2,6-Dimethyl-2,5-heptadien-4-one Production
2,6-Dimethyl-2,5-heptadien-4-one Toxicity Data With Reference
| 1. | scu-rbt LDLo:700 mg/kg | AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. 56 (1906),346. |
RTECS: MI5500000
2,6-Dimethyl-2,5-heptadien-4-one Consensus Reports
2,6-Dimethyl-2,5-heptadien-4-one Safety Profile
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
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