CAS 41233-93-6|叔戊氧基钾溶液|叔戊醇钾|potassium 2-methylbutan-2-olate|Potassium (2-methyl-2-butoxide)|Potassium tert-pentylate|2-甲基-2-丁醇钾|potassium 2-methylbutan-2-olate|Potassium tert-pentox...

Molecular Formula

C₅H₁₁KO

Molecular Mass

126.23854

Exact Mass

126.04469665

InChI

InChI=1S/C5H11O.K/c1-4-5(2,3)6;/h4H2,1-3H3;/q-1;+1

InChIKey

ZRLVQFQTCMUIRM-UHFFFAOYSA-N

Canonic Smiles

CCC(C)(C)[O-].[K+]

Isomeric Smiles

CCC(C)(C)[O-].[K+]

JChem

Acid pKa

18.535208

H Acceptors

H Donor

LogD (pH = 5.5)

1.057905

LogD (pH = 7.4)

1.057905

Log P

1.057905

Molar Refractivity

37.1412

Polarizability

10.265616

Polar Surface Area

23.06

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

23683543

Synonyms

叔戊醇钾叔戊氧基钾溶液Potassium (2-methyl-2-butoxide)2-甲基-2-丁醇钾Potassium tert-pentylatePotassium tert-pentoxide solutionPotassium tert-amylatePotassium tert-pentyloxide叔戊醇钾Potassium 2-methyl-2-butoxide2-甲基-2-丁醇钾

IUPAC Traditional name

potassium 2-methylbutan-2-olate

IUPAC name

potassium 2-methylbutan-2-olate

Beilstein Number

MDL Number

PubChem SID

CAS Number

PubChem CID

Physical Property

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

UN 2924 3/PG 2

16-26-36/37/39-45-62

16-26-36/37/39-45

Reacts violently with water.

May form explosive peroxides., Reacts violently with water.

H225-H304-H314-H336-H361d-H373

H225-H314-H335

63-11-14-34-48/20-65-67

11-14-19-34-37

2924

UN2924

P210-P261-P280-P301+P310-P305+P351+P338-P310

Air & Moisture Sensitive

Product Information

No Data Available

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Sigma Aldrich

60435

Caution
may crystallize; can be redissolved on heating to approx. 30°C
Packaging
1 L in glass bottle
250 mL in glass bottle

702757

Packaging
100, 500 mL in glass bottle

From Data Sources

• Strong, hindered base, soluble in hydrocarbon solvents: J. Am. Chem. Soc., 108, 1306 (1987). Has been used in combination with LDA to generate a superbase for the selective metallation of the aralkyl system at the 6-position of protected estradiols: Synthesis, 1493 (1995).