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13494-06-9

Name 3,4-Dimethyl-1,2-cyclopentanedione
CAS 13494-06-9
EINECS(EC#) 236-810-8
Molecular Formula C7H10O2
MDL Number MFCD00143063
Molecular Weight 126.15
MOL File 13494-06-9.mol
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Chemical Properties

Appearance slightly yellow to light beige crystalline powder
Melting point  68-72 °C(lit.)
Boiling point  194.28°C (rough estimate)
density  1.0579 (rough estimate)
FEMA  3268
refractive index  1.4690 (estimate)
storage temp.  0-6°C
solubility  Chloroform (Soluble), Methanol (Slightly)
form  Crystalline Powder
color  Slightly yellow to light beige
Odor at 1.00 % in dipropylene glycol. sweet maple caramel sugar fenugreek licorice
biological source synthetic
Odor Type caramellic
Water Solubility  slightly soluble
JECFA Number 420
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C7H10O2/c1-4-3-6(8)7(9)5(4)2/h4-5H,3H2,1-2H3
InChIKey WGAVDEVFJDQIMZ-UHFFFAOYSA-N
SMILES CC1CC(=O)C(=O)C1C
LogP 0.53
CAS DataBase Reference 13494-06-9(CAS DataBase Reference)
NIST Chemistry Reference 1,2-Cyclopentanedione, 3,4-dimethyl-(13494-06-9)
EPA Substance Registry System 13494-06-9(EPA Substance)
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Safety Data

Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
TSCA  TSCA listed
HS Code  29142990
Storage Class 11 - Combustible Solids

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

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