20500-49-6

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20500-49-6 Structure

Identification	Back 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 Properties	Back Directory
[Boiling point ] 153-154 °C
[density ] 0.907±0.06 g/cm3(Predicted)
[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 Data	Back Directory
[Symbol(GHS) ] 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

Hazard Information	Back 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 Detail	Back Directory
[Spectrum Detail] 3,3-DiMethyl-cyclopentanone(20500-49-6)¹HNMR

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