CAS 2109-22-0 Cyclohexaneacetaldehyde, .alpha.-methyl- (HCID 95560)

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Basic information

CAS: 2109-22-0
Standard SMILES: CC(C=O)C1CCCCC1
InChIKey: UQURIQWAEZGLAC-UHFFFAOYSA-N
Molecular formula: C9H16O
Average molar mass: 140.226 g/mol
Monoisotopic mass: 140.12011513

Names & identifiers

Preferred name: Cyclohexaneacetaldehyde, .alpha.-methyl-
IUPAC: 2-Cyclohexylpropanal
English name: 2-Cyclohexyl propanal
Molecular formula: C9H16O
Molecular weight: 140.22

Names & synonyms

POLLENALII2-Cyclohexyl propanalα-MethylcyclohexaneacetaldehydeCyclohexaneacetaldehyde, α-methyl-Cyclohexaneacetaldehyde, .alpha.-methyl-

Database identifiers

CAS: 2109-22-0
PubChem CID: 95560
DTXSID: DTXSID10862833
ChEMBL: CHEMBL3733263
EC Number: 412-270-0、801-875-9
Nikkaji: J195.952B

Properties

Physicochemical properties

Boiling point: 80 °C · 80 °C(Press: 16 Torr)
Density: 0.899 · 0.899±0.06 g/cm3(Predicted)
Odor: 10 % · at 10.00 % in dipropylene glycol. natural fresh green pollen
Odor Type: green
LogP: 2.73 · 2.730 (est)
EPA Substance Registry System: Cyclohexaneacetaldehyde, .alpha.-methyl- (2109-22-0)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 317 · H317-H411
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Hazard Codes: Xi,N
Risk Statements: 43 · 43-51/53
Safety Statements: 24 · 24-37-61
TSCA: TSCA listed
Toxicity: 50 · rat,LC50,inhalation,5320mg/m3/4H (5320mg/m3),BEHAVIORAL: FOOD INTAKE (ANIMAL)LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION,National Technical Information Service. Vol. OTS0556291,
REACH Registrations: Inactive

Safety & regulation

Safety data

tsca: TSCA listed
Toxicity: rat,LC50,inhalation,5320mg/m3/4H (5320mg/m3),BEHAVIORAL: FOOD INTAKE (ANIMAL)LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION,National Technical Information Service. Vol. OTS0556291,
risk_code: 43-51/53
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xi,N
safety_code: 24-37-61
Hazard statements: H317-H411
REACH Registrations: Inactive
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Chemistry & industry

Applications

Uses2-Cyclohexylpropanal is used as a reactant in the asymmetric synthesis of α-branched homoallylic aldehydes via Pd/chiral phosphoric acid-catalyzed direct α-allylation of α-branched aldehydes with allylic amines.