CAS 13155-57-2 Cyclohexanecarboxaldehyde, 2,2,6-trimethyl- (HCID 103695)

Substructure search Find similar structures

Basic information

CAS: 13155-57-2
Standard SMILES: CC1CCCC(C)(C)C1C=O
InChIKey: MPLGIGIOVUTMJA-UHFFFAOYSA-N
Molecular formula: C10H18O
Average molar mass: 154.25 g/mol
Monoisotopic mass: 154.13576519

Names & identifiers

Preferred name: Cyclohexanecarboxaldehyde, 2,2,6-trimethyl-
IUPAC: 2,2,6-trimethylcyclohexane-1-carbaldehyde
English name: 2,2,6-trimethylcyclohexanecarbaldehyde
Molecular formula: C10H18O
Molecular weight: 154.25

Names & synonyms

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

Show more names

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

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 149

Experimental & physicochemical properties

Kovats Retention Index1238

Physicochemical properties

Boiling point: 58 · 58-60 °C(Press: 10 Torr)
Density: 0.9087 g/cm3 · 0.9087 g/cm3(Temp: 24 °C)
EPA Substance Registry System: 2 · Cyclohexanecarboxaldehyde, 2,2,6-trimethyl- (13155-57-2)
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 3 items

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.