19780-84-8

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19780-84-8 Structure

Identification	Back Directory
[Name] 5-HEXYN-3-OL
[CAS] 19780-84-8
[Synonyms] 1-Hexyn-4-ol 5-HEXYN-3-OL hex-5-yn-3-ol 5-Hexyn-3-ol 97% 5-HEXYN-3-OL, 98+% ethyl propargyl carbinol Ethyl propargyl carbinol~1-Hexyn-4-ol
[EINECS(EC#)] 243-304-0
[Molecular Formula] C6H10O
[MDL Number] MFCD00041593
[MOL File] 19780-84-8.mol
[Molecular Weight] 98.14

Chemical Properties	Back Directory
[Melting point ] -34°C (estimate)
[Boiling point ] 73-76°C 60mm
[density ] 0,892 g/cm³
[refractive index ] 1.4430
[Fp ] 21°C
[storage temp. ] 2-8°C
[form ] clear liquid
[pka] 14.29±0.20(Predicted)
[color ] Colorless to Light orange to Yellow
[BRN ] 1698904
[InChI] 1S/C6H10O/c1-3-5-6(7)4-2/h1,6-7H,4-5H2,2H3
[InChIKey] AJYGRAORQSCNED-UHFFFAOYSA-N
[SMILES] CCC(O)CC#C
[EPA Substance Registry System] 5-Hexyn-3-ol (19780-84-8)

Safety Data	Back Directory
[Hazard Codes ] Xn
[Risk Statements ] 36/37/38-41-22-10
[Safety Statements ] 26-36/37/39-39
[RIDADR ] 1987
[WGK Germany ] 3
[TSCA ] Yes
[HazardClass ] 3
[PackingGroup ] III
[HS Code ] 29052900
[Storage Class] 3 - Flammable liquids
[Hazard Classifications] Acute Tox. 4 Oral Eye Dam. 1 Flam. Liq. 3

Spectrum Detail	Back Directory
[Spectrum Detail] 5-HEXYN-3-OL(19780-84-8)MS 5-HEXYN-3-OL(19780-84-8)¹HNMR 5-HEXYN-3-OL(19780-84-8)¹³CNMR 5-HEXYN-3-OL(19780-84-8)IR1 5-HEXYN-3-OL(19780-84-8)IR2 5-HEXYN-3-OL(19780-84-8)Raman

Hazard Information	Back Directory
[Purification Methods] Purify the hexynol by fractionation in a vacuum. The carbamoyl derivative (prepared by reaction with COCl2/toluene followed by NH3) is crystallised by dissolving in the minimum volume of toluene and adding excess of pet ether (b 40-60o ) and has m 70-71o. [L.nger et al. Helv Chim Acta 42 2379 1959, Beilstein 1 IV 2235.]

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