| Identification | Back Directory | [Name]
4,4-DIMETHYL-2-CYCLOPENTEN-1-ONE | [CAS]
22748-16-9 | [Synonyms]
4,4-dimethylcyclopent-2-enone
4,4-DIMETHYL-2-CYCLOPENTEN-1-ONE
4,4-dimethylcyclopent-2-en-1-one
2-Cyclopenten-1-one, 4,4-dimethyl-
4,4-Dimethyl-2-cyclopenten-1-one 99% | [Molecular Formula]
C7H10O | [MDL Number]
MFCD00075081 | [MOL File]
22748-16-9.mol | [Molecular Weight]
110.15 |
| Chemical Properties | Back Directory | [Melting point ]
174-175 °C | [Boiling point ]
158 °C (lit.) | [density ]
0.903 g/mL at 25 °C (lit.) | [refractive index ]
n20/D 1.457(lit.)
| [Fp ]
115 °F
| [storage temp. ]
Store at -20°C | [form ]
Liquid | [color ]
Colorless to light yellow | [InChI]
1S/C7H10O/c1-7(2)4-3-6(8)5-7/h3-4H,5H2,1-2H3 | [InChIKey]
YVFVCSCZJJGBAK-UHFFFAOYSA-N | [SMILES]
CC1(C)CC(=O)C=C1 |
| Safety Data | Back Directory | [Risk Statements ]
10 | [Safety Statements ]
16 | [RIDADR ]
UN 1224 3/PG 3
| [WGK Germany ]
3
| [HazardClass ]
3.2 | [PackingGroup ]
III | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 3 |
| Hazard Information | Back Directory | [Uses]
4,4-Dimethyl-2-cyclopenten-1-one, a natural compound from Apocyniveneti Folium, displays higher tumor-specific cytotoxicity[1]. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 115, p. 10056, 1993 DOI: 10.1021/ja00075a022
Organic Syntheses, Coll. Vol. 8, p. 208, 1993 | [General Description]
4,4-Dimethyl-2-cyclopenten-1-one is an α,β-unsaturated carbonyl compound and was reported to exhibit the higher tumor-specific cytotoxicity against oral human normal and tumor cells. 4,4-Dimethyl-2-cyclopenten-1-one was identified as one of the constituents in the essential oil of Tagetes minuta L by GC-MS. | [storage]
Store at -20°C | [References]
[1] Tohru Nakayachi, et al. Structure-activity relationships of alpha, beta-unsaturated ketones as assessed by their cytotoxicity against oral tumor cells. Anticancer Res. Mar-Apr 2004;24(2B):737-42. PMID:15161020
[2] Wei-WeiZhu, et al. Cornstalk liquefaction in methanol/water mixed solvents. Fuel Processing Technology Volume 117, January 2014, Pages 1-7. |
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