13494-07-0

Name 3,5-Dimethyl-1,2-cyclopentanedione
CAS 13494-07-0
EINECS(EC#) 236-811-3
Molecular Formula C7H10O2
MDL Number MFCD00143076
Molecular Weight 126.15
MOL File 13494-07-0.mol
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Chemical Properties

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)

Safety Data

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

Hazard Information

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