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4-METHYLOCTIN-4-OL

4-METHYLOCTIN-4-OL Structure
CAS No.
22128-43-4
Chemical Name:
4-METHYLOCTIN-4-OL
Synonyms
-1-octyn-4-oL;4-METHYLOCTIN-4-OL;4-Methyl-1-octyn-4-ol;4-Methyl-1-octyn-1-ol;1-Octyn-4-ol, 4-methyl-;4-Methyl-4-hydroxy-1-octyne
CBNumber:
CB91414757
Molecular Formula:
C9H16O
Molecular Weight:
140.22
MOL File:
22128-43-4.mol
MSDS File:
SDS
Modify Date:
2023/5/5 15:48:17

4-METHYLOCTIN-4-OL 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 Chemical Properties,Uses,Production

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 Preparation Products And Raw materials

Raw materials

Preparation Products

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4-METHYLOCTIN-4-OL 4-Methyl-1-octyn-1-ol 4-Methyl-1-octyn-4-ol 1-Octyn-4-ol, 4-methyl- -1-octyn-4-oL 4-Methyl-4-hydroxy-1-octyne 22128-43-4