CAS 57544-94-2 1-(5-Methylfuran-2-yl)but-3-yn-1-ol (HCID 9877418)

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Basic information

CAS: 57544-94-2
Standard SMILES: C#CCC(O)c1ccc(C)o1
InChIKey: NOWHXSQOXFHUPB-UHFFFAOYSA-N
Molecular formula: C9H10O2
Average molar mass: 150.17 g/mol

Names & identifiers

Preferred name: 1-(5-Methylfuran-2-yl)but-3-yn-1-ol
IUPAC: 1-(5-methylfuran-2-yl)but-3-yn-1-ol

Names & synonyms

1-(5-methylfuran-2-yl)but-3-yn-1-ol57544-94-2RefChem:426577817-847-45-methyl-2-furylpropargylcarbinolSCHEMBL4747920AKOS0132077202-(1-hydroxy-3-butynyl)-5-methylfuran

Database identifiers

CAS: 57544-94-2
PubChem CID: 9877418
EC Number: 817-847-4
Nikkaji: J429.855A

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 33.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 168

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, 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.