Grundinformationen
- Standard-SMILES
CC1CCCC1=O- InChIKey
ZIXLDMFVRPABBX-UHFFFAOYSA-N- Summenformel
- C6H10O
- Durchschnittliche Molmasse
- 98,14 g/mol
- Monoisotopische Masse
- 98,07316494
Überblick
2-methylcyclopentanone is a member of cyclopentanones.
Namen und Bezeichner
- Bevorzugter Name
- 2-Methylcyclopentanone
- IUPAC
- 2-methylcyclopentan-1-one
- Lokaler Name
- 2-Methylcyclopentanon
- Englischer Name
- 2-Methylcyclopentanone
- Summenformel
- C6H10O
- Molmasse
- 98.14
Namen und Synonyme
2-METHYLCYCLOPENTANONE1120-72-5Cyclopentanone, 2-methyl-alpha-MethylcyclopentanoneHTH47R9TXSmethyl cyclopentanoneNSC-105429EINECS 214-318-4NSC 105429AI3-39196DTXSID50862554RefChem:476030
Weitere Namen anzeigen
a-Methylcyclopentanone2-methyl-cyclopentanon2-Methylcyclopentanone,99%TIANFUCHEM--1120-72-5--2-Methylcyclopentanone in stock
DTXCID40811298CYCLOPENTANONE, 2-METHYL-, (+-)-214-318-42-Methylcyclopentan-1-oneCyclopentanone, methyl-.alpha.-MethylcyclopentanoneMFCD0000141428631-88-1
Datenbank-Bezeichner
- CAS
1120-72-5、28631-88-1- PubChem CID
- 14265
- DTXSID
DTXSID50862554- ChEBI
CHEBI:195393- UNII
- HTH47R9TXS
- EC Number
- 214-318-4
- Nikkaji
- J100.694K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 86,2
Physikochemische Eigenschaften
- Schmelzpunkt
- -75 °C · -75°C
- Siedepunkt
- 139 °C · 139 °C (lit.)
- Dichte
- 0.917 g/mL · 0.917 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.435(lit.)
- Flammpunkt
- 79 °F · 79 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to very slightly yellow
- Wasserlöslichkeit
- soluble
- InChI
- InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3
- InChIKey
- ZIXLDMFVRPABBX-UHFFFAOYSA-N
- SMILES
- C1(=O)CCCC1C
- LogP
- 0.69 · 0.690 (est)
- CAS Datenbank
- 1120 · 1120-72-5(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Cyclopentanone, 2-methyl-(1120-72-5)
- EPA chemische Informationen
- 2 · 2-Methylcyclopentanone (1120-72-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 22-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26379
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1224 3/PG 3
- hs_code
- 29142990
- risk_code
- 10
- hazard_code
- F
- safety_code
- 16-29-33
- hazard_class
- 3.2
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationCyclopentanone, 2-methyl-: ACTIVE
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