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3,5-Dimethyl-1,2-cyclopentanedione

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Name

3,5-Dimethyl-1,2-cyclopentanedione

EINECS 236-811-3
CAS No. 13494-07-0 Density 1.037 g/cm3
PSA 34.14000 LogP 0.80050
Solubility N/A Melting Point 87-95 °C(lit.)
Formula C7H10O2 Boiling Point 187.365 °C at 760 mmHg
Molecular Weight 126.155 Flash Point 63.628 °C
Transport Information N/A Appearance white to pale yellow crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13494-07-0 (3,5-Dimethyl-1,2-cyclopentanedione) Hazard Symbols N/A
Synonyms

3,5-Dimethylcyclopentane-1,2-dione

Article Data 3

3,5-Dimethyl-1,2-cyclopentanedione Synthetic route

2687-69-6

3,5-dimethyl-cyclopent-3-ene-1,2-dione

13494-07-0

3,5-dimethyl-1,2-cyclopentanedione

Conditions
ConditionsYield
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
ConditionsYield
With sodium ethanolate Erhitzen des Reaktionsprodukts mit wss. H2SO4;
2-methoxy-3,5-dimethyl-cyclopent-2-enone

2-methoxy-3,5-dimethyl-cyclopent-2-enone

13494-07-0

3,5-dimethyl-1,2-cyclopentanedione

Conditions
ConditionsYield
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
ConditionsYield
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

2-acetoxy-3,5-dimethyl-cyclopent-2-enone

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
ConditionsYield
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
ConditionsYield
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

2-hydroxy-3,5-dimethyl-cyclopentanone

Conditions
ConditionsYield
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
ConditionsYield
Multi-step reaction with 2 steps
2: platinum; dioxane / Hydrogenation
View Scheme

2,3-diamino-N-(4-methyl-cyclohexyl)-propionamide

13494-07-0

3,5-dimethyl-1,2-cyclopentanedione

7-hydroxy-5, 7-dimethyl-N-(trans-4-methylcyclohexyl)-6, 7-dihydro-5H-CYCLOPENTA [B] PYRAZINE-2-CARBOXAMIDE

Conditions
ConditionsYield
With pyridinium p-toluenesulfonate In benzene Heating / reflux;

3,5-Dimethyl-1,2-cyclopentanedione Chemical Properties

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

3,5-Dimethyl-1,2-cyclopentanedione 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.

3,5-Dimethyl-1,2-cyclopentanedione Safety Profile

WGK Germany: 3

3,5-Dimethyl-1,2-cyclopentanedione 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.

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