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| CAS No.: | 13494-07-0 |
|---|---|
| Name: | 3,5-Dimethyl-1,2-cyclopentanedione |
| Article Data: | 3 |
| Molecular Structure: | |
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|
|
| Formula: | C7H10O2 |
| Molecular Weight: | 126.155 |
| Synonyms: | 3,5-Dimethylcyclopentane-1,2-dione |
| EINECS: | 236-811-3 |
| Density: | 1.037 g/cm3 |
| Melting Point: | 87-95 °C(lit.) |
| Boiling Point: | 187.365 °C at 760 mmHg |
| Flash Point: | 63.628 °C |
| Appearance: | white to pale yellow crystalline powder |
| PSA: | 34.14000 |
| LogP: | 0.80050 |
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
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3,5-dimethyl-cyclopent-3-ene-1,2-dione
- 13494-07-0
3,5-dimethyl-1,2-cyclopentanedione
| Conditions | Yield |
|---|---|
| With Lindlar's catalyst; diethyl ether Hydrogenation; |
- 10088-87-6
4,5-dioxo-cyclopentane-1,3-dicarboxylic acid diethyl ester
- 74-88-4
methyl iodide
- 13494-07-0
3,5-dimethyl-1,2-cyclopentanedione
| Conditions | Yield |
|---|---|
| With sodium ethanolate Erhitzen des Reaktionsprodukts mit wss. H2SO4; |
- 13494-07-0
3,5-dimethyl-1,2-cyclopentanedione
| Conditions | Yield |
|---|---|
| With hydrogen iodide |
- 1073239-44-7
5,6-diamino-3-(4-chlorobenzyl)-1-propylpyrimidine-2,4(1H,3H)-dione
- 13494-07-0
3,5-dimethyl-1,2-cyclopentanedione
- 1135922-51-8
3-(4-chlorobenzyl)-6,8-dimethyl-1-propyl-7,8-dihydro-1H-cyclopenta[g]pteridine-2,4(3H,6H)-dione
| Conditions | Yield |
|---|---|
| With acetic acid In methanol; DCM at 160℃; for 0.666667h; Microwave irradiation; | 32% |
- 13494-07-0
3,5-dimethyl-1,2-cyclopentanedione
- 108-24-7
acetic anhydride
- 13494-07-0
3,5-dimethyl-1,2-cyclopentanedione
- 16420-13-6
N,N-Dimethylthiocarbamoyl chloride
- 110874-93-6
3,5-dimethyl-2-<(dimethylthiocarbamoyl)oxy>-2-cyclopenten-1-one
| Conditions | Yield |
|---|---|
| With lithium hydroxide In chloroform for 3h; Ambient temperature; |
- 13494-07-0
3,5-dimethyl-1,2-cyclopentanedione
- 110874-92-5
2,4-dimethyl-4-<(dimethylcarbamoyl)thio>-2-cyclopenten-1-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: aq. lithium hydroxide / CHCl3 / 3 h / Ambient temperature 2: 37 percent / lithium chloride, acetic acid / 1.5 h / Heating View Scheme |
- 13494-07-0
3,5-dimethyl-1,2-cyclopentanedione
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 2: platinum; dioxane / Hydrogenation 3: aqueous KOH View Scheme |
- 13494-07-0
3,5-dimethyl-1,2-cyclopentanedione
- 859318-83-5
2-acetoxy-3,5-dimethyl-cyclopentanone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 2: platinum; dioxane / Hydrogenation View Scheme |
- 13494-07-0
3,5-dimethyl-1,2-cyclopentanedione
| Conditions | Yield |
|---|---|
| With pyridinium p-toluenesulfonate In benzene Heating / reflux; |
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Chemistry
Molecule structure of 1,2-Cyclopentanedione, 3,5-dimethyl- (CAS NO.13494-07-0):
IUPAC Name: 3,5-Dimethylcyclopentane-1,2-dione
Molecular Weight: 126.1531 g/mol
Molecular Formula: C7H10O2
Density: 1.036 g/cm3
Melting Point: 87-95 °C(lit.)
Boiling Point: 187.4 °C at 760 mmHg
Flash Point: 63.6 °C
Index of Refraction: 1.45
Molar Refractivity: 32.73 cm3
Molar Volume: 121.6 cm3
Polarizability: 12.97×10-24 cm3
Surface Tension: 30.9 dyne/cm
Enthalpy of Vaporization: 42.36 kJ/mol
Vapour Pressure: 0.633 mmHg at 25 °C
XLogP3-AA: 0.7
H-Bond Acceptor: 2
Tautomer Count: 11
Exact Mass: 126.06808
MonoIsotopic Mass: 126.06808
Topological Polar Surface Area: 34.1
Heavy Atom Count: 9
Complexity: 142
Canonical SMILES: CC1CC(C(=O)C1=O)C
InChI: InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3
InChIKey: MIDXCONKKJTLDX-UHFFFAOYSA-N
EINECS: 236-811-3
Product Categories: Alphabetical Listings; C-D; Flavors and Fragrances
Uses
1,2-Cyclopentanedione, 3,5-dimethyl- (CAS NO.13494-07-0) is the food flavors which is allowed to use by GB 2760—96.
Safety Profile
WGK Germany: 3
Specification
1,2-Cyclopentanedione, 3,5-dimethyl- (CAS NO.13494-07-0) is also named as 3,5-Dimethyl-1,2-cyclopentadione ; 3,5-Dimethyl-1,2-cyclopentanedione ; FEMA No. 3269 . 1,2-Cyclopentanedione, 3,5-dimethyl- (CAS NO.13494-07-0) is white to pale yellow crystalline powder.