1-(tert-Butyldimethylsilyloxy)-2-propanone

HCID 4124969

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Basic information

CAS: 74685-00-0
Standard SMILES: CC(=O)CO[Si](C)(C)C(C)(C)C
InChIKey: LHYDYTSJUGPFLA-UHFFFAOYSA-N
Molecular formula: C9H20O2Si
Average molar mass: 188.34 g/mol
Monoisotopic mass: 188.12325641

Names & identifiers

Preferred name: 1-(tert-Butyldimethylsilyloxy)-2-propanone
IUPAC: 1-[tert-butyl(dimethyl)silyl]oxypropan-2-one
English name: 1-(tert-Butyldimethylsilyloxy)-2-propanone
Molecular formula: C9H20O2Si
Molecular weight: 188.34

Names & synonyms

74685-00-01-(tert-Butyldimethylsilyloxy)-2-propanoneDTXSID90399591RefChem:227143DTXCID703504481-((tert-Butyldimethylsilyl)oxy)propan-2-one1-[tert-butyl(dimethyl)silyl]oxypropan-2-oneMFCD013213302-Propanone, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-[(tert-Butyldimethylsilyl)oxy]-2-propanone[t-butyl(dimethyl)silyloxy]acetoneAS-40102

Show more names

DK382DKFELEX03301-(t-BUTYLDIMETHYLSILOXY)-2-PROPANONE1-(tert-Butyldimethylsilyoxy)-2-propanone1-[(tert-Butyl)dimethylsiloxy]-2-propanone1-[(tert-butyldiMethylsilyl)oxy]propan-2-one1-(tert-Butyldimethylsilyloxy)-2-propanone 98%1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-propanone

1-{[tert-butyl (dimethyl)silyl]oxy}acetone1-{[tert-butyl(dimethyl)-silyl]oxy}acetoneCS-01129031-(tert-butyldimSCHEMBL1085871SCHEMBL22033623AKOS0159136011-(t-butyldimethylsilyloxy)-2-propanone

Database identifiers

CAS: 74685-00-0
PubChem CID: 4124969
DTXSID: DTXSID90399591
Nikkaji: J1.092.930J

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 168

Physicochemical properties

Boiling point: 35 · 35-38 °C/0.6 mmHg (lit.)
Density: 0.976 g/mL · 0.976 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.426(lit.)
Flash point: 165 °F · 165 °F
storage temp.: 2 · 2-8°C
form: Liquid
color: Clear colorless
Specific Gravity: 0.976 · 0.976
Hydrolytic Sensitivity: 7 · 7: reacts slowly with moisture/water
InChI: 1S/C9H20O2Si/c1-8(10)7-11-12(5,6)9(2,3)4/h7H2,1-6H3
InChIKey: LHYDYTSJUGPFLA-UHFFFAOYSA-N
SMILES: CC(=O)CO[Si](C)(C)C(C)(C)C
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
WGK Germany: 3 · 3
HS Code: 2931900090 · 2931900090
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 2931900090
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Chemistry & industry

Applications

Uses1-(tert-Butyldimethylsilyloxy)-2-propanone is also known as 1-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}acetone. Its enthalpy of vaporization at boiling point has been reported.

General Description1-(tert-Butyldimethylsilyloxy)-2-propanone is also known as 1-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}acetone. Its enthalpy of vaporization at boiling point has been reported.