ChemicalBook--->CAS DataBase List--->13494-07-0

13494-07-0

13494-07-0 Structure

13494-07-0 Structure
IdentificationBack Directory
[Name]

3,5-Dimethyl-1,2-cyclopentanedione
[CAS]

13494-07-0
[Synonyms]

CORONOL
FEMA 3269
3,5-dimethyl-2-cyclopentanedione
3,5-DIMETHYL-1,2-CYCLOPENTADIONE
3,5-DIMETHYL-1,2-CYCLOPENTANEDIONE
3,5-dimethylcyclopentane-1,2-dione
2-Cyclopentanedione,3,5-dimethyl-1
1,2-Cyclopentanedione, 3,5-dimethyl-
3,5-Dimethyl-1,2-cyclopentanedione,97%
3 5-DIMETHYL-1 2-CYCLOPENTADIONE 97+%
FEMA 3269, 3,5-DIMETHYL-1,2-CYCLOPENTADIONE
3,5-DIMETHYL-2-HYDROXY-2-CYCLOPENTENYL-1-ONE
[EINECS(EC#)]

236-811-3
[Molecular Formula]

C7H10O2
[MDL Number]

MFCD00143076
[MOL File]

13494-07-0.mol
[Molecular Weight]

126.15
Chemical PropertiesBack Directory
[Appearance]

white to pale yellow crystalline powder
[Melting point ]

87-95 °C(lit.)
[Boiling point ]

187.4±9.0 °C(Predicted)
[density ]

1.036±0.06 g/cm3(Predicted)
[FEMA ]

3269
[storage temp. ]

2-8°C
[Odor]

at 1.00 % in propylene glycol. caramellic burnt sugar brown maple toffee molasses whiskey nutty coffee
[biological source]

synthetic
[Odor Type]

caramellic
[JECFA Number]

421
[Major Application]

flavors and fragrances
[InChI]

InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3
[InChIKey]

MIDXCONKKJTLDX-UHFFFAOYSA-N
[SMILES]

C1(=O)C(C)CC(C)C1=O
[LogP]

0.53
[NIST Chemistry Reference]

1,2-Cyclopentanedione, 3,5-dimethyl-(13494-07-0)
[EPA Substance Registry System]

1,2-Cyclopentanedione, 3,5-dimethyl-(13494-07-0)
Hazard InformationBack Directory
[Chemical Properties]

white to pale yellow crystalline powder
[Occurrence]

Reported found as a volatile constituent in coffee aroma and cooked pork.
[Uses]

flavors and fragrances
[Preparation]

By direct alkylation of the methyl ester of the commercially available 3-methylcyclo-pent-2-en-2-ol-1-one, followed by the cleavage of the ether function.
[Aroma threshold values]

Detection: 1 ppm
[Taste threshold values]

Taste characteristics at 10 ppm: brown, sweet, sugary, maple, caramellic
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[WGK Germany ]

3
[TSCA ]

TSCA listed
[Storage Class]

11 - Combustible Solids
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