3-Methyl-1,2-cyclopentanedione
-
3-Methyl-1,2-cyclopentanedione
structure -
-
CAS No:
765-70-8
-
Formula:
C6H8O2
-
Chemical Name:
3-Methyl-1,2-cyclopentanedione
-
Synonyms:
1,2-Cyclopentanedione,3-methyl-;3-Methyl-1,2-cyclopentanedione;3-Methyl-1,2-cyclopentadione;79299-96-0
-
CAS No:
Description
Methylcyclopentenolone has a sweet flavor somewhat similar to licorice. This compound is also reported to have a nutty odor, and a maple-licorice aroma in dilute solution WHITE TO OFF-WHITE POWDER
Solid
3-Methyl-1,2-cyclopentanedione is a cyclic ketone.
3-Methyl-1,2-cyclopentanedione Basic Attributes
112.13
112.13
2076520
212-154-8
DTXSID3047716
29142900
Characteristics
34.1
0.2
White to off-white Powder
1.1±0.1 g/cm3
104.5 °C
170.05°C (rough estimate)
100 °C
1.463
H2O: soluble
Store below +30°C.
Safety Information
NONH for all modes of transport
3
36/37/38-43
22-24/25-36/37-26-36
Xi
Stable under normal temperatures and pressures.
Not Classified
3-Methyl-1,2-cyclopentanedione Use and Manufacturing
Weigh sodium bicarbonate (8.4mg), 1-Hydroxy-2, 5-hexanedione (130 mg) was dissolved in water, 80°C (: The reaction was carried out for 12 hours, and the product was separated by extraction with chloroform. The pure methylcyclopentenolone (91 mg) was isolated on a silica gel column, yield 81percent. The product is tested by temperament and compared with methylcyclopentenolone standard
1,2-Cyclopentanedione, 3-methyl-: ACTIVE
Computed Properties
Molecular Weight:112.13
XLogP3:0.2
Hydrogen Bond Acceptor Count:2
Exact Mass:112.052429494
Monoisotopic Mass:112.052429494
Topological Polar Surface Area:34.1
Heavy Atom Count:8
Complexity:138
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
