Cyclohexylaceton

Cyclohexylacetone

HCID 66899CAS 103-78-6

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Grundinformationen

Standard-SMILES: CC(=O)CC1CCCCC1
InChIKey: UHBZEAPZATVYKV-UHFFFAOYSA-N
Summenformel: C9H16O
Durchschnittliche Molmasse: 140,22 g/mol
Monoisotopische Masse: 140,12011513

Namen und Bezeichner

Bevorzugter Name: Cyclohexylacetone
IUPAC: 1-cyclohexylpropan-2-one
Lokaler Name: Cyclohexylaceton
Englischer Name: Cyclohexylacetone
Summenformel: C9H16O
Molmasse: 140.22

Namen und Synonyme

CyclohexylacetoneAcetonylcyclohexane2-Propanone, 1-cyclohexyl-1-Cyclohexyl-2-propanoneV54Y1GAG9IEINECS 203-143-9NSC 15332NSC-15332UNII-V54Y1GAG9IAI3-24773DTXSID20592792-PROPANONE, CYCLOHEXYL-

Weitere Namen anzeigen

CyclohexyacetoneCyclohexyacetone,97%1-cyclohexyl-2-propanon1-Cyclohexylpropane-2-one

RefChem:129698DTXCID2032768UHBZEAPZATVYKV-UHFFFAOYSA-N103-78-61-cyclohexylpropan-2-one1-CyclohexylacetoneCyclohexyl-2-propanoneMFCD00019396

Datenbank-Bezeichner

CAS: 103-78-6
PubChem CID: 66899
DTXSID: DTXSID2059279
UNII: V54Y1GAG9I
EC Number: 203-143-9
Nikkaji: J182.168G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 112

Physikochemische Eigenschaften

Schmelzpunkt: 116 ℃ · 116℃
Siedepunkt: 198 · 198-200°C
Dichte: 0 · 0,905 g/cm3
Brechungsindex: 1.4528 · 1.4528
Flammpunkt: 198 · 198-200°C
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: solid
BRN: 1209723 · 1209723
InChI: 1S/C9H16O/c1-8(10)7-9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKey: UHBZEAPZATVYKV-UHFFFAOYSA-N
SMILES: CC(=O)CC1CCCCC1
LogP: 2.43 · 2.430 (est)
CAS Datenbank: 103 · 103-78-6(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Propanone, 1-cyclohexyl- (103-78-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: 2-Propanone, 1-cyclohexyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesFlam. Liq. 4 (50%)

Sicherheitsdaten

wgk: WGK 3
tsca: TSCA listed
risk_code: 25-36-52
hazard_code: T
safety_code: 24/25-45-26
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 3Eye Irrit. 2