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CAS No.: | 13494-07-0 |
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Name: | 3,5-Dimethyl-1,2-cyclopentanedione |
Article Data: | 3 |
Molecular Structure: | |
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 |
3,5-dimethyl-cyclopent-3-ene-1,2-dione
3,5-dimethyl-1,2-cyclopentanedione
Conditions | Yield |
---|---|
With Lindlar's catalyst; diethyl ether Hydrogenation; |
4,5-dioxo-cyclopentane-1,3-dicarboxylic acid diethyl ester
methyl iodide
3,5-dimethyl-1,2-cyclopentanedione
Conditions | Yield |
---|---|
With sodium ethanolate Erhitzen des Reaktionsprodukts mit wss. H2SO4; |
3,5-dimethyl-1,2-cyclopentanedione
Conditions | Yield |
---|---|
With hydrogen iodide |
5,6-diamino-3-(4-chlorobenzyl)-1-propylpyrimidine-2,4(1H,3H)-dione
3,5-dimethyl-1,2-cyclopentanedione
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% |
3,5-dimethyl-1,2-cyclopentanedione
acetic anhydride
3,5-dimethyl-1,2-cyclopentanedione
N,N-Dimethylthiocarbamoyl chloride
3,5-dimethyl-2-<(dimethylthiocarbamoyl)oxy>-2-cyclopenten-1-one
Conditions | Yield |
---|---|
With lithium hydroxide In chloroform for 3h; Ambient temperature; |
3,5-dimethyl-1,2-cyclopentanedione
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 |
3,5-dimethyl-1,2-cyclopentanedione
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 2: platinum; dioxane / Hydrogenation 3: aqueous KOH View Scheme |
3,5-dimethyl-1,2-cyclopentanedione
2-acetoxy-3,5-dimethyl-cyclopentanone
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 2: platinum; dioxane / Hydrogenation View Scheme |
3,5-dimethyl-1,2-cyclopentanedione
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In benzene Heating / reflux; |
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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
1,2-Cyclopentanedione, 3,5-dimethyl- (CAS NO.13494-07-0) is the food flavors which is allowed to use by GB 2760—96.
WGK Germany: 3
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.