2,2,6-Trimethylcyclohexancarbaldehyd

Cyclohexanecarboxaldehyde, 2,2,6-trimethyl-

HCID 103695CAS 13155-57-2

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Grundinformationen

Standard-SMILES: CC1CCCC(C)(C)C1C=O
InChIKey: MPLGIGIOVUTMJA-UHFFFAOYSA-N
Summenformel: C10H18O
Durchschnittliche Molmasse: 154,25 g/mol
Monoisotopische Masse: 154,13576519

Namen und Bezeichner

Bevorzugter Name: Cyclohexanecarboxaldehyde, 2,2,6-trimethyl-
IUPAC: 2,2,6-trimethylcyclohexane-1-carbaldehyde
Lokaler Name: 2,2,6-Trimethylcyclohexancarbaldehyd
Englischer Name: 2,2,6-trimethylcyclohexanecarbaldehyde
Summenformel: C10H18O
Molmasse: 154.25

Namen und Synonyme

Cyclohexanecarboxaldehyde, 2,2,6-trimethyl-13155-57-2EINECS 236-094-72,2,6-TrimethylcyclohexanecarboxaldehydeDTXSID60866285RefChem:129560DTXCID208145852,2,6-Trimethylcyclohexanecarbaldehyde2,2,6-trimethylcyclohexane-1-carbaldehydeCyclohexene-1-acetaldehyde, 2,6,6-trimethylSCHEMBL1276250SCHEMBL10662475

Weitere Namen anzeigen

2,6,6-Trimethylcyclohexanecarbaldehyde(1R,6S)-2,2,6-trimethylcyclohexyl carbaldehyde

1-formyl-2,6,6-trimethylcyclohexaneAKOS0159066612,2,6-trimethyl-cyclohexane-1-carbaldehydeNS00051608

Datenbank-Bezeichner

CAS: 13155-57-2
PubChem CID: 103695
DTXSID: DTXSID60866285
EC Number: 236-094-7
Nikkaji: J317.839K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 149

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1238

Physikochemische Eigenschaften

Siedepunkt: 58 · 58-60 °C(Press: 10 Torr)
Dichte: 0.9087 g/cm3 · 0.9087 g/cm3(Temp: 24 °C)
EPA chemische Informationen: 2 · Cyclohexanecarboxaldehyde, 2,2,6-trimethyl- (13155-57-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 11 of 11 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 11 of 11 reports by companies.；There are 0 notifications provided by 0 of 11 reports by companies with hazard statement code(s).；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.