5-Hexyn-3-ol

Base Information

• Chemical Name: 5-Hexyn-3-ol
• CAS No.: 19780-84-8
• Deprecated CAS: 96852-84-5
• Molecular Formula: C6H10 O
• Molecular Weight: 98.1448
• Hs Code.: 29052900
• European Community (EC) Number: 243-304-0
• NSC Number: 244897
• DSSTox Substance ID: DTXSID60885097
• Nikkaji Number: J123.978C
• Mol file: 19780-84-8.mol

Synonyms:5-Hexyn-3-ol;19780-84-8;hex-5-yn-3-ol;1-Hexyn-4-ol;4-Hydroxy-1-hexyne;EINECS 243-304-0;NSC 244897;4-hydroxy-1hexyne;NSC244897;Ethyl propargyl carbinol;5-Hexyn-3-ol, 97%;AJYGRAORQSCNED-UHFFFAOYSA-;DTXSID60885097;MFCD00041593;AKOS009158125;NSC-244897;CS-0227140;FT-0620452;H0462;D90880;J-012775

Chemical Property of 5-Hexyn-3-ol

Chemical Property:

• Vapor Pressure: 0.738mmHg at 25°C
• Melting Point: -34°C (estimate)
• Refractive Index: 1.4430
• Boiling Point: 162.6°Cat760mmHg
• Flash Point: 76.8°C
• PSA: 20.23000
• Density: 0.898g/cm³
• LogP: 0.78060
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 77.4

Purity/Quality:

97% ^*data from raw suppliers

5-Hexyn-3-ol >90.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: Xn
• Statements: 36/37/38-41-22-10
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(CC#C)O

Technology Process of 5-Hexyn-3-ol

There total 6 articles about 5-Hexyn-3-ol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

propionaldehyde (123-38-6) + propargyl bromide (106-96-7) → 5-Hexyn-3-ol (19780-84-8)

Guidance literature:

With aluminium; mercury dichloride; In tetrahydrofuran; at 50 ℃; for 4h;

Reference yield: 54.0%

ethyloxirane (106-88-7) + triphenylmethane (519-73-3) → 5-Hexyn-3-ol (19780-84-8)

Guidance literature:

With ammonia; lithium; In dimethyl sulfoxide;

Reference yield:

propionaldehyde (123-38-6) → 5-Hexyn-3-ol (19780-84-8)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; Yield given. Multistep reaction; 1) Et₂O, 25 deg C, 15 min;

DOI:10.1016/S0040-4039(00)60046-1

upstream raw materials:

propargyl magnesium bromide

propionaldehyde

propargyl bromide

allenylmagnesium bromide

Downstream raw materials:

Hexen-(3)-in-(1)

3-benzyloxyhex-5-yne

(3E)-6-methylhept-3-en-2-one

6-phenylhex-5-yn-3-ol