Cyclododecanecarboxaldehyde

HCID 78737CAS 5037-22-9

Substructure search Find similar structures

Basic information

Standard SMILES: O=CC1CCCCCCCCCCC1
InChIKey: KIYUNVUWDQKWPJ-UHFFFAOYSA-N
Molecular formula: C13H24O
Average molar mass: 196.33 g/mol
Monoisotopic mass: 196.18271539

Names & identifiers

Preferred name: Cyclododecanecarboxaldehyde
IUPAC: cyclododecanecarbaldehyde
English name: cyclododecaneformylcarboxylic acid
Molecular formula: C14H24O3
Molecular weight: 240.33856

Names & synonyms

Cyclododecaneformylcarboxylic acidCyclododecanecarboxaldehydeS64SQQ4UJREINECS 225-731-4NSC-524962DTXSID50198421NSC 524962RefChem:129452DTXCID80120912cyclododecanecarbaldehyde5037-22-9NSC524962

Show more names

formyl cyclododecane

cyclododecancarbaldehydUNII-S64SQQ4UJRcyclododecane carboxaldehydeSCHEMBL329468SCHEMBL329469FAA03722AKOS015258588DS-002608

Database identifiers

CAS: 5037-22-9
PubChem CID: 78737
DTXSID: DTXSID50198421
UNII: S64SQQ4UJR
EC Number: 225-731-4
Nikkaji: J203.265A

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 130

Physicochemical properties

FDA UNII: 64 SQQ4UJR · S64SQQ4UJR
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.