| Identification | Back Directory | [Name]
4-METHYLOCTIN-4-OL | [CAS]
22128-43-4 | [Synonyms]
-1-octyn-4-oL
4-METHYLOCTIN-4-OL
4-Methyl-1-octyn-1-ol
4-Methyl-1-octyn-4-ol
1-Octyn-4-ol, 4-methyl- | [Molecular Formula]
C9H16O | [MDL Number]
MFCD02660904 | [MOL File]
22128-43-4.mol | [Molecular Weight]
140.22 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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 (26.9111001). 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% |
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