3-Methyl-2-cyclopenten-1-one
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3-Methyl-2-cyclopenten-1-one
structure -
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CAS No:
2758-18-1
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Formula:
C6H8O
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Chemical Name:
3-Methyl-2-cyclopenten-1-one
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Synonyms:
2-Cyclopenten-1-one,3-methyl-;3-Methyl-2-cyclopenten-1-one;3-Methyl-2-cyclopentenone;3-Methyl-2-cyclopentene-1-one;Nussol;3-Methylcyclopenten-2-one
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CAS No:
Description
3-Methyl-2-cyclopenten-1-one is an endogenous metabolite.
Pale straw-coloured liquid; warm-spicy, sweet-floral and diffusive yet quite tenaceous odour
3-Methyl-2-cyclopenten-1-one is a cyclic ketone.
3-Methyl-2-cyclopenten-1-one Basic Attributes
96.129
96.13
220-421-5
6V7RSW7273
DTXSID1062629
2914299000
Characteristics
17.1
0.5
Pale straw-coloured liquid; warm-spicy, sweet-floral and diffusive yet quite tenaceous odour
0.9467 g/cm3 @ Temp: 15 °C
76-77 °C
157.5 °C
53.1±9.8 °C
1.482
Micible with water.
Refrigerator (+4ºC)
2.74mmHg at 25°C
Safety Information
III
1224
3
R36/38
S24/25
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Methyl-2-cyclopenten-1-one Use and Manufacturing
Flavoring Agents -> JECFA Flavorings Index
2-Cyclopenten-1-one, 3-methyl-: ACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:96.13
XLogP3:0.5
Hydrogen Bond Acceptor Count:1
Exact Mass:96.057514874
Monoisotopic Mass:96.057514874
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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