Basic information
- Standard SMILES
CC(C)(C)[O-].[K+]- InChIKey
LPNYRYFBWFDTMA-UHFFFAOYSA-N- Molecular formula
- C4H9KO
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.02904659
Overview
See also: Potassium t-butylate (annotation moved to); Potassium tert-butoxide (annotation moved to).
Names & identifiers
- Preferred name
- Potassium tert-butoxide
- IUPAC
- potassium 2-methylpropan-2-olate
- English name
- Potassium tert-butoxide
- Molecular formula
- C4H9KO
- Molecular weight
- 113.22
Names & synonyms
Potassium tert-butoxide865-47-4Potassium T-butoxideVR838VHE0VPotassium tert-butanolatepotassium 2-methylpropan-2-olatetert-butoxypotassiumPotassium tert-butylatepotassium;2-methylpropan-2-olate(tert-butoxy)potassium2-Methyl-2-propanol, potassium saltpotassium tert butoxide
Show more names
t-BuOKKOtbuKTBPotassium Tertiary Butoxidetert-BuOK
potassium-tert-butoxideC4H9KO2-Propanol, 2-methyl-, potassium saltpotassium 1,1-dimethylethoxidepotassium t-butanolateEINECS 212-740-3UNII-VR838VHE0V2-Propanol, 2-methyl-, potassium salt (1:1)
Database identifiers
- CAS
865-47-4- PubChem CID
- 23665647
- DTXSID
DTXSID2061220- UNII
- VR838VHE0V
- Nikkaji
- J35.487B
Properties
Computed structural properties
- Topological polar surface area
- 23.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 29
Physicochemical properties
- Melting point
- 256 · 256-258 °C (dec.) (lit.)
- Boiling point
- 275 °C · 275°C
- Density
- 0.91 g/mL · 0.910 g/mL at 20 °C
- bulk density
- 500 kg/m3 · 500kg/m3
- vapor pressure
- 1 mm · 1 mm Hg ( 220 °C)
- Flash point
- 54 °F · 54 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Soluble in hexane, toluene, diethyl ether and terahydrofuran.
- form
- Solution
- pka
- 1 · pK1:18(25°C)
- color
- White to off-white
- Specific Gravity
- 0.902 · 0.902
- PH
- 13 · 13 (5g/l, H2O, 20℃)Hydrolysis
- Water Solubility
- REACTS
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
- Sensitive
- Moisture Sensitive
- BRN
- 3556712 · 3556712
- Stability
- Stable, but reacts violently with water and acids, possibly leading to fire. Incompatible with water, acids, halogenated hydrocarbons, alcohols, strong oxidizing agents, ketones, carbon dioxide.
- InChI
- 1S/C4H9O.K/c1-4(2,3)5;/h1-3H3;/q-1;+1
- InChIKey
- LPNYRYFBWFDTMA-UHFFFAOYSA-N
- SMILES
- [K+].CC(C)(C)[O-]
- CAS DataBase Reference
- 865 · 865-47-4(CAS DataBase Reference)
- FDA UNII
- 838 VHE0V · VR838VHE0V
- EPA Substance Registry System
- 2 · 2-Methyl-2-propanol, potassium salt (865-47-4)
- UNSPSC Code
- 12352303 · 12352303
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 228 · H228-H260-H314
- Precautionary statements
- 210 · P210-P231+P232-P260-P280-P303+P361+P353-P305+P351+P338
- Hazard Codes
- F,C,Xi
- Risk Statements
- 11 · 11-19-22-34-35-14-20-36/37-37
- Safety Statements
- 16 · 16-26-36/37/39-43-45-7/9-8-43A-33-27-29
- RIDADR
- 3274 · UN 3274 3/PG 2
- WGK Germany
- 1 · 1
- F
- 10 · 10-21
- Autoignition Temperature
- 483 °C · 483 °C
- Hazard Note
- Flammable solid/Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- I
- HS Code
- 29051900 · 29051900
- Storage Class
- 4.2 · 4.2 - Pyrophoric and self-heating hazardous materials
- Hazard Classifications
- 1 Flam · Eye Dam. 1Flam. Sol. 1Self-heat. 2Skin Corr. 1A
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
Safety data
- F
- 10-21
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3274 3/PG 2
- hs_code
- 29051900
- risk_code
- 11-19-22-34-35-14-20-36/37-37
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- F,C,Xi
- hazard_note
- Flammable solid/Corrosive
- safety_code
- 16-26-36/37/39-43-45-7/9-8-43A-33-27-29
- hazard_class
- 8
- Storage Class
- 4.2 - Pyrophoric and self-heating hazardous materials
- packing_group
- I
- Hazard statements
- H228-H260-H314
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1Flam. Sol. 1Self-heat. 2Skin Corr. 1A
- Autoignition Temperature
- 483 °C
- Precautionary statements
- P210-P231+P232-P260-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
UsesPotassium tert-butoxide, as a strong alkaline, is widely used in the condensation, rearrangement and ring opening reaction in organic production in the fields of chemical, pharmaceutical and pesticide.It can also be used:To synthesize aliphatic and aromatic amides from corresponding esters and amines.As a base in the intramolecular cyclization of aryl ethers, amines, and amides.As a catalyst to prepare styrene derivatives from aryl halides and alkenes by Mizoroki-Heck reaction.
UsesPotassium tert-butylate is used to catalyzes the Michael addition reaction.
General DescriptionPotassium tert-butoxide is an important kind of organic base with its alkalinity being stronger than potassium hydroxide. It is widely used in the condensation, rearrangement and ring opening reaction in organic production in the fields of chemical, pharmaceutical and pesticide.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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