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52490 Sigma-Aldrich

2,4-Hexadiyne-1,6-diol

≥98.0% (GC)

  • CAS Number 3031-68-3

  • Linear Formula HOCH2C≡CC≡CCH2OH

  • Molecular Weight 110.11

  •  Beilstein/REAXYS Number 773791

  •  EC Number 221-210-0

  •  MDL number MFCD00020619

  •  PubChem Substance ID 57651375

  •  NACRES NA.22

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Properties

Related Categories Alkynes, Building Blocks, Chemical Synthesis, Internal, Organic Building Blocks More...
assay   ≥98.0% (GC)
mp   113-114 °C (lit.)
storage temp.   2-8°C
SMILES string   OCC#CC#CCO
InChI   1S/C6H6O2/c7-5-3-1-2-4-6-8/h7-8H,5-6H2
InChI key   JXMQYKBAZRDVTC-UHFFFAOYSA-N

Description

General description

2,4-Hexadiyne-1,6-diol can be prepared from propargyl alcohol. 2,4-Hexadiyne-1,6-diol readily undergoes polymerization when heated under vacuum or inert gas atmosphere.

Application

2,4-Hexadiyne-1,6-diol may be used as a starting material in the synthesis of thiarubrine A (an antibiotic). It may also be used to synthesize disodium salt of 2,4-hexadiyne 1,6-disulfate (HDDS).

Packaging

1, 5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS02  GHS02
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN1325 - class 4.1 - PG 2 - Flammable solids, organic, n.o.s., HI: all
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles

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Peer-Reviewed Papers
15

References

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