2-Cyclohexylacetaldehyde

HCID 316627

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Basic information

CAS: 5664-21-1
Standard SMILES: O=CCC1CCCCC1
InChIKey: JJMDTERTPNYIGZ-UHFFFAOYSA-N
Molecular formula: C8H14O
Average molar mass: 126.2 g/mol
Monoisotopic mass: 126.10446507

Names & identifiers

Preferred name: 2-Cyclohexylacetaldehyde
IUPAC: 2-cyclohexylacetaldehyde
English name: 2-Cyclohexylacetaldehyde
Molecular formula: C8H14O
Molecular weight: 126.2

Names & synonyms

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

Show more names

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

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 82

Physicochemical properties

Boiling point: 69 °C · 69 °C(Press: 12 Torr)
Density: 0.9187 g/cm3 · 0.9187 g/cm3
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: Chloroform (Sparingly); Practically insoluble in water, soluble in alcohol and oils.
form: Oil
color: Colourless
Odor: Refreshing green-floral odor of poor tenacity.
FDA UNII: 2 A23ZV3 · YYW2A23ZV3
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
HS Code: 2912290090 · 2912290090

Safety & regulation

GHS classification

GHS Classification · 5 items

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.