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

Name: 4,4-Dimethyl-2-cyclopenten-1-one
Brand: ALDRICH
Price: 582 USD
Availability: InStock

99%

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About This Item

Linear Formula:

(CH₃)₂C₅H₄(=O)

CAS Number:

22748-16-9

Molecular Weight:

110.15

NACRES:

NA.22

PubChem Substance ID:

24860390

UNSPSC Code:

12352100

MDL number:

MFCD00075081

Assay:

99%

Form:

liquid

Key Documents

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InChI

1S/C7H10O/c1-7(2)4-3-6(8)5-7/h3-4H,5H2,1-2H3

SMILES string

CC1(C)CC(=O)C=C1

InChI key

YVFVCSCZJJGBAK-UHFFFAOYSA-N

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

Quality Level

100

Related Categories

Organic Building Blocks

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This Item	393274	W270709	W270733
Sigma-Aldrich 336521 4,4-Dimethyl-2-cyclopenten-1-one	Sigma-Aldrich 393274 3-Methoxy-2-cyclopenten-1-one	Sigma-Aldrich W270709 6-Methyl-5-hepten-2-one	Sigma-Aldrich W270733 6-Methyl-5-hepten-2-one
assay 99%	assay 99%	assay ≥98%	assay ≥98%
Quality Level 100	Quality Level 100	Quality Level 400	Quality Level 400
refractive index n20/D 1.457 (lit.)	refractive index -	refractive index n20/D 1.439 (lit.)	refractive index n20/D 1.439 (lit.)
form liquid	form solid	form -	form -
density 0.903 g/mL at 25 °C (lit.)	density -	density 0.858 g/mL at 20 °C, 0.855 g/mL at 25 °C (lit.)	density 0.858 g/mL at 20 °C, 0.855 g/mL at 25 °C (lit.)
bp 158 °C (lit.)	bp -	bp 73 °C/18 mmHg (lit.)	bp 73 °C/18 mmHg (lit.)

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.[1] 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

GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

114.8 °F - closed cup

flash_point_c

46 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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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)

Structure-activity relationships of alpha, beta-unsaturated ketones as assessed by their cytotoxicity against oral tumor cells.

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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