Grundinformationen
- CAS
1757-42-2- Standard-SMILES
CC1CCC(=O)C1- InChIKey
AOKRXIIIYJGNNU-UHFFFAOYSA-N- Summenformel
- C6H10O
- Durchschnittliche Molmasse
- 98,14 g/mol
- Monoisotopische Masse
- 98,07316494
Überblick
3-methylcyclopentanone is a member of cyclopentanones.
Namen und Bezeichner
- Bevorzugter Name
- 3-Methylcyclopentanone
- IUPAC
- 3-methylcyclopentan-1-one
- Lokaler Name
- DL-3-Methylcyclopentanon
- Englischer Name
- 3-Methylcyclopentanone
- Summenformel
- C6H10O
- Molmasse
- 98.14
Namen und Synonyme
3-METHYLCYCLOPENTANONE1757-42-23-methylcyclopentan-1-oneDTXSID201023930RefChem:94874DTXCID701412475Cyclopentanone, 3-methyl-DL-3-Methylcyclopentanone3-Methyl-1-cyclopentanoneMFCD000014163-Methylcyclopentanone, (+/-)-(+/-)-3-methylcyclopentanone
Weitere Namen anzeigen
DL-3-MetUNII:N603804P523-MethylcyclopentaCyclopentanone,3-methyl-1-Methyl-3-cyclopentanone3-Methylcyclopentanone 99%
NSC-25212N603804P52Cyclopentanone, 3-methyl-, (R)-UNII-N603804P52(+/-)-3-Methylcyclopentanone; 1-Methyl-3-cyclopentanone; 3-Methyl-1-cyclopentanone; 3-Methylcyclopentanone; NSC 25212EINECS 217-148-9NSC 252123-methyl cyclopentanone
Datenbank-Bezeichner
- CAS
1757-42-2- PubChem CID
- 15650
- DTXSID
DTXSID201023930- ChEBI
CHEBI:195512- UNII
- N603804P52
- EC Number
- 217-148-9
- Nikkaji
- J121.790I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- 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
Experimentelle und physikochemische Eigenschaften
SolventsSolvents -> Ketones (<C12)
Physical DescriptionColorless or pale yellow liquid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -58 ℃ · -58℃
- Siedepunkt
- 145 °C · 145 °C(lit.)
- Dichte
- 0.913 g/mL · 0.913 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.434(lit.)
- Flammpunkt
- 98 °F · 98 °F
- storage temp.
- Flammables area
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Liquid
- Farbe
- Clear slightly yellow
- Wasserlöslichkeit
- soluble
- BRN
- 1305074 · 1305074
- InChI
- 1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3
- InChIKey
- AOKRXIIIYJGNNU-UHFFFAOYSA-N
- SMILES
- CC1CCC(=O)C1
- LogP
- 0.69 · 0.690 (est)
- CAS Datenbank
- 1757 · 1757-42-2(CAS DataBase Reference)
- NIST chemische Informationen
- 3 · Cyclopentanone, 3-methyl-(1757-42-2)
- EPA chemische Informationen
- 3 · Cyclopentanone, 3-methyl- (1757-42-2)
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
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Cyclopentanone.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1224 3/PG 3
- hs_code
- 29142900
- risk_code
- 10
- safety_code
- 16
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
Chemie und Industrie
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