3-Methyl-2-cyclopenten-1-one

HCID 17691CAS 2758-18-1
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Grundinformationen

Standard-SMILES
CC1=CC(=O)CC1
InChIKey
CHCCBPDEADMNCI-UHFFFAOYSA-N
Summenformel
C6H8O
Durchschnittliche Molmasse
96,13 g/mol
Monoisotopische Masse
96,05751488

Überblick

3-Methyl-2-cyclopenten-1-one is a cyclic ketone.

Namen und Bezeichner

Bevorzugter Name
3-Methyl-2-cyclopenten-1-one
IUPAC
3-methylcyclopent-2-en-1-one
Lokaler Name
3-Methylcyclopent-2-enon
Englischer Name
3-Methyl-2-cyclopentenone
Summenformel
C6H8O
Molmasse
96.13

Namen und Synonyme

3-METHYL-2-CYCLOPENTEN-1-ONE3-methylcyclopent-2-en-1-one3-Methylcyclopent-2-enone2-Cyclopenten-1-one, 3-methyl-3-Methyl-2-cyclopentenone1-Methyl-1-cyclopenten-3-oneFEMA No. 34356V7RSW7273UNII-6V7RSW7273NUSSOLDTXSID1062629EINECS 220-421-5
Weitere Namen anzeigen
Methylcyclopentenone3-METHYL-2-CYCLOPENTENE-1-ONE3-MCP3-Methylcyclopent-2-enon
FEMA 34351-METHYL-1-CYCLOPENTEN-3-ONE [FHFI]RefChem:94731DTXCID6037699CHCCBPDEADMNCI-UHFFFAOYSA-NInChI=1/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H2758-18-1MFCD00001403

Datenbank-Bezeichner

CAS
2758-18-1
PubChem CID
17691
DTXSID
DTXSID1062629
ChEMBL
CHEMBL290007
ChEBI
CHEBI:179528
UNII
6V7RSW7273
EC Number
220-421-5
Nikkaji
J22.870B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,5
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCoriolis coupling
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.968-0.975
Flavoring AgentsEU Flavoring substances
Solubility · 2 Einträge

soluble in water; soluble in oil

Miscible at room temperature (in ethanol)

Boiling Point74 °C (15 mm Hg)

Physikochemische Eigenschaften

Schmelzpunkt
3 · 3-5 °C (lit.)
Siedepunkt
74 °C/15 · 74 °C/15 mmHg (lit.)
Dichte
0.98 g/mL · 0.980 g/mL at 20 °C 0.971 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.488(lit.)
FEMA
3435 · 3435 | 1-METHYL-1-CYCLOPENTEN-3-ONE
Flammpunkt
150 °F · 150 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H227 (20%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 2-Cyclopenten-1-one, 3-methyl-

Regulation (EC) No 1831/2003 (amended)

2-Cyclopenten-1-one, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 4 (20%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
1224
hs_code
29142900
risk_code
36/38
safety_code
24/25

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 3 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information2-Cyclopenten-1-one, 3-methyl-: ACTIVE
Anwendungen · 3 Einträge

BeschreibungMay be prepared by dehydrohalogenation of 2-chloro-l-methylcyclopentan-3-one.

OccurrenceReported found in roasted onion, cooked pork, black tea, soybean and dried bonito

VerwendenIt is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals.

Darstellung

synthetischeBy dehydrohalogenation of 2-chloro-1-methyl-cyclopentan-3-one.

Vor- und nachgelagerte Produkte

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