CAS 18220-83-2 2-(Adamantan-1-yl)acetaldehyde (HCID 5086084)

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Basic information

CAS: 18220-83-2
Standard SMILES: O=CCC12CC3CC(CC(C3)C1)C2
InChIKey: BLQURGBJSSSGAU-UHFFFAOYSA-N
Molecular formula: C12H18O
Average molar mass: 178.27 g/mol
Monoisotopic mass: 178.1357652

Names & identifiers

Preferred name: 2-(Adamantan-1-yl)acetaldehyde
IUPAC: 2-(1-adamantyl)acetaldehyde

Names & synonyms

2-(Adamantan-1-yl)acetaldehyde18220-83-2RefChem:459447878-485-01-adamantylacetaldehyde2-(1-adamantyl)acetaldehydeTricyclo[3.3.1.13,7]decane-1-acetaldehyde2-adamantanylethanalAdamantyl acetaldehydeadamantane acetaldehyde1-adamantylacetaldehvdeSCHEMBL159995

Show more names

SCHEMBL339412BLQURGBJSSSGAU-UHFFFAOYSA-NDTXSID401380297AKOS018546124ST50983932EN300-1725365Z1365511200

Database identifiers

CAS: 18220-83-2
PubChem CID: 5086084
DTXSID: DTXSID401380297
EC Number: 878-485-0
Nikkaji: J381.055K

Properties

Computed structural propertiesFilling in

XLogP: 3.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 190

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.