5-[(Tert-butyldimethylsilyl)oxy]pentan-2-one

HCID 10680263CAS 86864-59-7

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIKey: HYMOZAQHSDGTIS-UHFFFAOYSA-N
Molecular formula: C11H24O2Si
Average molar mass: 216.39 g/mol

Names & identifiers

Preferred name: 5-[(Tert-butyldimethylsilyl)oxy]pentan-2-one
IUPAC: 5-[tert-butyl(dimethyl)silyl]oxypentan-2-one
English name: 5-[(tert-Butyldimethylsilyl)oxy]pentan-2-one
Molecular formula: C11H24O2Si
Molecular weight: 216.39

Names & synonyms

5-[(tert-butyldimethylsilyl)oxy]pentan-2-one86864-59-75-((tert-butyldimethylsilyl)oxy)pentan-2-oneRefChem:528852964-935-45-[tert-butyl(dimethyl)silyl]oxypentan-2-oneMFCD28347977SCHEMBL875754HYMOZAQHSDGTIS-UHFFFAOYSA-NLDA86459AKOS025393574SS-4875

Show more names

G288405-(tert-Butyl-dimethyl-silanyloxy)-pentan-2-oneEN300-90627252-Pentanone, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-

Database identifiers

CAS: 86864-59-7
PubChem CID: 10680263
EC Number: 964-935-4
Nikkaji: J491.572K

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 14
Formal charge: 0
Complexity: 192

Physicochemical properties

Boiling point: 245 · 245.0±23.0 °C(Predicted)
Density: 0.867 · 0.867±0.06 g/cm3(Predicted)
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

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.