157643
3-Methylcyclopentanone
99%
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About This Item
Linear Formula:
CH3C5H7(=O)
CAS Number:
Molecular Weight:
98.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
217-148-9
Beilstein/REAXYS Number:
1305074
MDL number:
Assay:
99%
Form:
liquid
InChI key
AOKRXIIIYJGNNU-UHFFFAOYSA-N
InChI
1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3
SMILES string
CC1CCC(=O)C1
assay
99%
form
liquid
Quality Level
bp
145 °C (lit.)
density
0.913 g/mL at 25 °C (lit.)
functional group
ketone
Related Categories
General description
3-Methylcyclopentanone is a monocyclic ketone and its optical rotatory dispersion has been studied under isolated and solvated conditions to explore the role of ring size/morphology. The vibrationally resolved electronic circular dichroism (ECD) spectra of (R)-(+)-3-methylcyclopentanone in gas phase was evaluated by density functional theory.
signalword
Warning
hcodes
Hazard Classifications
Flam. Liq. 3
Storage Class
3 - Flammable liquids
flash_point_f
93.2 °F - closed cup
flash_point_c
34 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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Na Lin et al.
The journal of physical chemistry. A, 112(48), 12401-12411 (2008-11-13)
The vibrationally resolved electronic circular dichroism (ECD) spectra of the two dominant conformers of (R)-(+)-3-methylcyclopentanone in gas phase are computed by density functional response theory, with a full account of Franck-Condon and Herzberg-Teller vibrational contributions at the harmonic level. Proper
Kajetan Koperwas et al.
Scientific reports, 6, 36934-36934 (2016-11-25)
When we cool down a liquid below the melting temperature, it can either crystallize or become supercooled, and then form a disordered solid called glass. Understanding what makes a liquid to crystallize readily in one case and form a stable
Priyanka Lahiri et al.
The journal of physical chemistry. A, 117(47), 12382-12400 (2013-11-15)
The optical rotatory dispersion of two monocyclic ketones, (R)-3-methylcyclopentanone [R-3MCP] and (R)-3-methylcyclohexanone [R-3MCH], has been investigated under isolated and solvated conditions to explore the role of ring size/morphology and to elucidate the impact of environmental perturbations. Vapor-phase measurements of specific
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