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336521

Sigma-Aldrich

4,4-Dimethyl-2-cyclopenten-1-one

99%

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About This Item

Linear Formula:
(CH3)2C5H4(=O)
CAS Number:
22748-16-9
Molecular Weight:
110.15
MDL number:
MFCD00075081
UNSPSC Code:
12352100
PubChem Substance ID:
24860390
NACRES:
NA.22

Quality Level

100

Assay

99%

form

liquid

refractive index

n20/D 1.457 (lit.)

bp

158 °C (lit.)

density

0.903 g/mL at 25 °C (lit.)

functional group

ketone

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

Related Categories

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.

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

336521-500MG:
336521-1G:
336521-BULK:
336521-250MG:
336521-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKBN5831V
MKBK0394V
MKBJ3537V
23997PJ
23597MJ

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Sigma-Aldrich

M39105

3-Methyl-2-cyclohexenone

2-Methylcyclopentanone 98%

Sigma-Aldrich

288438

2-Methylcyclopentanone

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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