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20500-49-6

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20500-49-6 Structure

20500-49-6 Structure
IdentificationBack Directory
[Name]

3,3-DiMethyl-cyclopentanone
[CAS]

20500-49-6
[Synonyms]

3,3-DiMethyl-cyclopentanone
Cyclopentanone, 3,3-dimethyl-
3,3-di methyl cyclopentan-1-one
[Molecular Formula]

C7H12O
[MDL Number]

MFCD18917067
[MOL File]

20500-49-6.mol
[Molecular Weight]

112.17
Chemical PropertiesBack Directory
[Boiling point ]

153-154 °C
[density ]

0.907±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[Appearance]

Colorless to light yellow Liquid
[InChI]

InChI=1S/C7H12O/c1-7(2)4-3-6(8)5-7/h3-5H2,1-2H3
[InChIKey]

JSYAQLZSGHPSJD-UHFFFAOYSA-N
[SMILES]

C1(=O)CCC(C)(C)C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
[RIDADR ]

UN2811
[REACH Registrations]

Active
Hazard InformationBack Directory
[Uses]

3,3-Dimethylcyclopentanone is an intermediate used in the total synthesis of tremulenolide A and tremulenediol A via cyclopropanation/Cope rearrangement.
[Synthesis Reference(s)]

Synthesis, p. 330, 1995 DOI: 10.1055/s-1995-3909
Tetrahedron Letters, 35, p. 7217, 1994 DOI: 10.1016/0040-4039(94)85364-9
Spectrum DetailBack Directory
[Spectrum Detail]

3,3-DiMethyl-cyclopentanone(20500-49-6)1HNMR
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