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About This Item
Linear Formula:
(CH3)2C5H4(=O)
CAS Number:
Molecular Weight:
110.15
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
99%
form
liquid
refractive index
n20/D 1.457 (lit.)
bp
158 °C (lit.)
density
0.903 g/mL at 25 °C (lit.)
SMILES string
CC1(C)CC(=O)C=C1
InChI
1S/C7H10O/c1-7(2)4-3-6(8)5-7/h3-4H,5H2,1-2H3
InChI key
YVFVCSCZJJGBAK-UHFFFAOYSA-N
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.
Signal Word
Warning
Hazard Statements
Hazard Classifications
Flam. Liq. 3
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
114.8 °F - closed cup
Flash Point(C)
46 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
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Chemical composition of the essential oil of Tagetes minuta growing in Saudi Arabia.
El-Deeb KS, et al.
Saudi Pharmaceutical Journal : SPJ : The Official Publication of the Saudi Pharmaceutical Society, 12(1), 51-53 (2004)
Tohru Nakayachi et al.
Anticancer research, 24(2B), 737-742 (2004-05-27)
A series of simple alpha, beta-unsaturated carbonyl compounds (1-26) was characterized for their cytotoxic profiles against oral human normal and tumor cells. Several cycloalkenones showed potent cytotoxic activities against human oral squamous cell carcinoma HSC-2 cell line. Among them, 4,4-dimethyl-2-cyclopenten-1-one
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