1-Methylcyclohexane-1-carboxaldehyde

HCID 11137168

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Grundinformationen

CAS: 6140-64-3
Standard-SMILES: CC1(C=O)CCCCC1
InChIKey: FXZFFVCJWZTTMX-UHFFFAOYSA-N
Summenformel: C8H14O
Durchschnittliche Molmasse: 126,2 g/mol
Monoisotopische Masse: 126,10446507

Namen und Bezeichner

Bevorzugter Name: 1-Methylcyclohexane-1-carboxaldehyde
IUPAC: 1-methylcyclohexane-1-carbaldehyde
Englischer Name: 1-Methylcyclohexanecarboxaldehyde
Summenformel: C8H14O
Molmasse: 126.2

Namen und Synonyme

1-methylcyclohexanecarboxaldehyde1-Methylcyclohexane-1-carboxaldehydeRefChem:434579801-548-06140-64-31-methylcyclohexanecarbaldehyde1-methylcyclohexane-1-carbaldehydeMFCD120286161-Formyl-1-methylcyclohexaneCyclohexanecarboxaldehyde, methyl-Cyclohexanecarboxaldehyde, 1-methyl-SCHEMBL349626

Weitere Namen anzeigen

1-Methylcyclohexane-1-carboxaldehyde95%1-Methylcyclohexane-1-carboxaldehyde 95%1-Methylcyclohexane-1-carboxaldehyde, tech

SCHEMBL3496271-methyl-cyclohexanecarbaldehydeSCHEMBL11725586SCHEMBL27287226SCHEMBL27473349DTXSID50456452FXZFFVCJWZTTMX-UHFFFAOYSA-N(1-methyl)cyclohexanecarboxaldehyde

Datenbank-Bezeichner

CAS: 6140-64-3
PubChem CID: 11137168
DTXSID: DTXSID50456452
EC Number: 801-548-0
Nikkaji: J2.394.688B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 101

Physikochemische Eigenschaften

Siedepunkt: 85 °C · 85 °C(Press: 20 Torr)
Dichte: 0.9407 g/cm3 · 0.9407 g/cm3
Flammpunkt: 51 °C · 51 °C
storage temp.: 0 · Store at 0-8 °C
Aggregatzustand: liquid
Farbe: Colourless

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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.