2-Cyclohexylacetaldehyde

HCID 316627CAS 5664-21-1

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Grundinformationen

Standard-SMILES: O=CCC1CCCCC1
InChIKey: JJMDTERTPNYIGZ-UHFFFAOYSA-N
Summenformel: C8H14O
Durchschnittliche Molmasse: 126,2 g/mol
Monoisotopische Masse: 126,10446507

Namen und Bezeichner

Bevorzugter Name: 2-Cyclohexylacetaldehyde
IUPAC: 2-cyclohexylacetaldehyde
Englischer Name: 2-Cyclohexylacetaldehyde
Summenformel: C8H14O
Molmasse: 126.2

Namen und Synonyme

2-cyclohexylacetaldehyde5664-21-1DTXSID40311703RefChem:470938DTXCID40262827839-178-7cyclohexylacetaldehydeCyclohexaneacetaldehydecyclohexyl-acetaldehydeMFCD02261737NSC-244934YYW2A23ZV3

Weitere Namen anzeigen

2-cyclohexylethanal(2-Oxoethyl)cyclohexane2-cyclohexylacetaldehyde - [C86991]

cyclohexylmethyl carboxaldehydeCyclohexylacetaldehyde (~90%)2-Cyclohexylacetaldehyde; Cyclohexylmethyl carboxaldehyde; NSC 244934Aldehydes, 5cyclohexylactaldehydeNSC244934cyclohexyl acetaldehydecyclohexyl acetoaldehyde

Datenbank-Bezeichner

CAS: 5664-21-1
PubChem CID: 316627
DTXSID: DTXSID40311703
ChEMBL: CHEMBL1999575
UNII: YYW2A23ZV3
EC Number: 839-178-7
Nikkaji: J807.986B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 82

Physikochemische Eigenschaften

Siedepunkt: 69 °C · 69 °C(Press: 12 Torr)
Dichte: 0.9187 g/cm3 · 0.9187 g/cm3
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: Chloroform (Sparingly); Practically insoluble in water, soluble in alcohol and oils.
Aggregatzustand: Oil
Farbe: Colourless
Geruch (Odor): Refreshing green-floral odor of poor tenacity.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.