51916-47-3

Basic information

• Product Name: 1,4-Octanediol
• Synonyms: 1,4-Octanediol
• CAS NO: 51916-47-3
• Molecular Formula: C₈H₁₈O₂
• Molecular Weight: 146.23
• Mol File: 51916-47-3.mol
• Article Data: 3

Chemical Properties

• Melting Point: 43.76°C (estimate)
• Boiling Point: 243.79°C (rough estimate)
• Appearance: /
• Density: 0.9636 (rough estimate)
• Refractive Index: 1.4569 (estimate)
• PKA: 15.09±0.20(Predicted)
• CAS DataBase Reference: 1,4-Octanediol(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4-Octanediol(51916-47-3)
• EPA Substance Registry System: 1,4-Octanediol(51916-47-3)

Safety Data

• Hazardous Substances Data: 51916-47-3(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Tetrahedron, 33, p. 1945, 1977 DOI: 10.1016/0040-4020(77)80381-5

Upstream product

• 7530-07-6 octyl hydroperoxide 
• 693-03-8 n-butyl magnesium bromide 
• 70477-44-0 2-(3-phenyl-allyloxy)-tetrahydro-furan 

Downstream Products

• 1311463-05-4 1-(benzyloxy)octan-4-ol 
• 1311463-15-6 ((4,4-difluorooctyloxy)methyl)benzene 
• 1311463-08-7 1-(benzyloxy)octan-4-one 
• 104-50-7 gamma-octalactone 

Relevant articles and documents

Formation of manganese-alkyne complexes mediated by trialkylmanganates and their application

Treatment of dodec-6-yne with triallylmanganate in the presence of 1,3,5-trimethylbenzene provides (Z)-dodec-6-ene. An addition of D2O before quenching the reaction affords the corresponding dideuterated alkene. The result suggests the existence of the manganese-alkyne complex as an intermediate. Treatment of methyl propargyl ethers as alkynes with tributylmanganate generates propargylmanganese species. The reaction of non-2-ynyl tetrahydropyran-2-yl ether with tributylmanganate provides tetradec-7-yn-1,5-diol and 6-hexylocta-6,7-dien-1,5-diol.

Intramolecular H-Transfer Reactions During the Decomposition of Alkylhydroperoxides in Hydrocarbons as the Solvents

Eight defined primary and secondary alkylhydroperoxides were decomposed in n-alkanes as the solvent, mostly in the presence of manganese stearate.In all cases the corresponding alcohols and carbonyl compounds were formed as the main products with yields of 60-90percent.Besides, difunctional products were formed by an intramolecular H-transfer in the alkoxy radicals corresponding to the starting hydroperoxides.Products possibly formed by an intramolecular H-transfer in the corresponding alkylperoxy radical could be found only in the case of 4-methyl-2-hydroperoxy pentane.The amount of products formed by intramolecular H-transfer depended on the nature of the C-H bond in δ-position to the original hydroperoxy group and lay between 4percent (primary C-H in the case of 4-hydroperoxy heptane) and 13percent (tertiary C-H in the case of 2-hydroperoxy-5-methyl hexane) with respect to the starting hydroperoxide.The amount of products formed by oxidative attack of the alkoxy and alkylperoxy radicals at the normal paraffins used as the solvents was unexpectedly low (always less than 10percent with respect to the starting hydroperoxide).An increment system is proposed for the calculation of 13C-nmr shifts in alkyl hydroperoxides.