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| CAS No.: | 41233-93-6 |
|---|---|
| Name: | POTASSIUM 2-METHYL-2-BUTOXIDE |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H11KO |
| Molecular Weight: | 126.24 |
| Synonyms: | Potassium tert-pentyloxide (7CI);2-Methyl-2-butanol potassium salt;Potassium 1,1-dimethyl-1-propoxide;Potassium tert-amylate;Potassium tert-pentoxide;tert-Amyl alcohol potassium salt;tert-Amyloxypotassium; |
| EINECS: | 255-272-5 |
| Density: | 0.87 |
| Melting Point: | >160°C dec |
| Boiling Point: | 102 °C at 760 mmHg |
| Flash Point: | 21.1 °C |
| Solubility: | Reacts with water. |
| Appearance: | Colourless to pale yellow liquid |
| Hazard Symbols: |
 F,  C
|
| Risk Codes: | 11-14-34-48/20-63-65-67 |
| Safety: | 26-36/37/39-43-45-62 |
| Transport Information: | UN 2924 3/PG 2 |
| PSA: | 23.06000 |
| LogP: | 1.60550 |
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Specification
The 2-Butanol, 2-methyl-,potassium salt (1:1) is an organic compound with the formula C5H11KO. The IUPAC name of this chemical is potassium 2-methylbutan-2-olate. With the CAS registry number 41233-93-6, it is also named as Potassium (2-methyl-2-butoxide). Besides, it should be stored in a closed cool and dry place.
Physical properties about 2-Butanol, 2-methyl-,potassium salt (1:1) are: (1)ACD/LogP: 1.04; (2)ACD/LogD (pH 5.5): 1.04; (3)ACD/LogD (pH 7.4): 1.04; (4)ACD/BCF (pH 5.5): 3.64; (5)ACD/BCF (pH 7.4): 3.64; (6)ACD/KOC (pH 5.5): 87.73; (7)ACD/KOC (pH 7.4): 87.73; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.23 Å2; (12)Flash Point: 21.1 °C; (13)Enthalpy of Vaporization: 39.77 kJ/mol; (14)Boiling Point: 102 °C at 760 mmHg; (15)Vapour Pressure: 19.2 mmHg at 25°C.
Uses of 2-Butanol, 2-methyl-,potassium salt (1:1): it can be used to produce 2-bromo-1-(4-chloro-phenyl)-propan-1-one at ambient temperature. It will need solvent various solvent(s) with reaction time of 1 hour. The yield is about 75%.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable and danger of serious damage to health by prolonged exposure if swallowed. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. It reacts violently with water and causes burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical may cause lung damage if swallowed. It has possible risk of harm to the unborn child. When you are using it, wear suitable gloves and eye/face protection. In case of fire use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add - Never use water). In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: [K+].[O-]C(C)(C)CC
(2)InChI: InChI=1/C5H11O.K/c1-4-5(2,3)6;/h4H2,1-3H3;/q-1;+1
(3)InChIKey: ZRLVQFQTCMUIRM-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H11O.K/c1-4-5(2,3)6;/h4H2,1-3H3;/q-1;+1
(5)Std. InChIKey: ZRLVQFQTCMUIRM-UHFFFAOYSA-N