2-Cyclohexen-1-one
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Grundinformationen
- CAS
25512-62-3- Standard-SMILES
O=C1C=CCCC1- InChIKey
FWFSEYBSWVRWGL-UHFFFAOYSA-N- Summenformel
- C6H8O
- Durchschnittliche Molmasse
- 96,13 g/mol
- Monoisotopische Masse
- 96,05751488
Überblick
Cyclohex-2-enone is a cyclohexenone having its C=C double bond at the 2-position.
Namen und Bezeichner
- Bevorzugter Name
- 2-Cyclohexen-1-one
- IUPAC
- cyclohex-2-en-1-one
- Englischer Name
- Cyclohexenone
- Molmasse
- 0
Namen und Synonyme
2-CYCLOHEXEN-1-ONECyclohex-2-enone930-68-7Cyclohex-2-en-1-one2-Cyclohexenone3-Oxocyclohexenecyclohexen-3-oneDTXSID1024881CHEBI:15977NSC-59710DTXCID804881445160R1U6
Weitere Namen anzeigen
FEMA NO. 4517RefChem:909756213-223-5Cyclohexenone1-Cyclohexen-3-oneCyclohexen-1-one2-Cyclohexene-1-oneMFCD00001577
Datenbank-Bezeichner
- CAS
25512-62-3、930-68-7- PubChem CID
- 13594
- DTXSID
DTXSID1024881- ChEMBL
CHEMBL1439332- ChEBI
CHEBI:15977- UNII
- 445160R1U6
- EC Number
- 213-223-5
- Nikkaji
- J55.441C
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 103
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
SpringerMaterials PropertiesChemical shift
LogP0.61
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.988-0.998 (20 °C)
Solubility
Very slightly soluble
Soluble (in ethanol)
Boiling Point100-101 °C (1 mm Hg)
Vapor Pressure3.62 [mmHg]
Refractive Index1.485-1.491
Physical Description
Colorless liquid; [Alfa Aesar MSDS]
Pale yellow to yellow clear liquid; In dilution, roasted savoury aroma with a green undertone
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 166 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Cyclohexen-1-one
Status: Active Update: 16-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21787
Cyclohexenone: Does not have an individual approval but may be used under an appropriate group standard
2-Cyclohexen-1-one: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryA strong sensitizer; [Kanerva, p. 1775] An eye irritant; Harmful by ingestion; Toxic by inhalation and skin absorption; [Alfa Aesar MSDS] See Cyclohexanone. See Carvone and Isophorone.
Hazard Classes and CategoriesFlam. Liq. 3 (97.6%)
Toxikologische Informationen
Adverse Effects
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Cyclohexen-1-one: ACTIVE
Zugehörige Reaktionen
210
Notizen zur Verbindung
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