4-METHYLOCTIN-4-OL Chemical Properties

Melting point:

-16°C (estimate)

Boiling point:

226.76°C (rough estimate)

Density 

0.8565 (estimate)

refractive index 

1.4395 (estimate)

pka

14.36±0.29(Predicted)

InChI

InChI=1S/C9H16O/c1-4-6-8-9(3,10)7-5-2/h2,10H,4,6-8H2,1,3H3

InChIKey

VWNNGOBVFMFPNE-UHFFFAOYSA-N

SMILES

C#CCC(C)(O)CCCC

4-METHYLOCTIN-4-OL Usage And Synthesis

Hazard

Moderately toxic by ingestion. A moderateeye irritant.

Synthesis

In a 50 L glass reactor, 2.2 kg (91.6 mol) of metallic magnesium and 20 L of anhydrous tetrahydrofuran were added, and a reaction was initiated by stirring of about 3.21 kg 3-bromopropyne. After the reaction was initiated, the system became black, A mixture of 7.51 kg of 2-hexanone (75 mol), 7.5 kg of 3-bromopropyne (63 mol) and 20 ml of anhydrous tetrahydrofenosine was added dropwise at 25-35 ° C, and the reaction mixture was added dropwise (2-hexanone , Organic phase merger, dry, concentrated crude. The product was purified by distillation under reduced pressure to give 7.5 kg of pure 4-Methyloctin-4-ol with a purity of 97.1% and a yield of 71.4%

4-METHYLOCTIN-4-OL(22128-43-4)Related Product Information

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