52490

2,4-Hexadiyne-1,6-diol

≥98.0% (GC)

• Synonym(s): 1,6-Dihydroxy-2,4-hexadiyne, 2,4-Hexadiynediol, Diacetylene glycol
• Linear Formula: HOCH₂C≡CC≡CCH₂OH
• CAS Number: 3031-68-3
• Molecular Weight: 110.11
• Beilstein: 773791
• EC Number: 221-210-0
• MDL number: MFCD00020619
• UNSPSC Code: 12352100
• PubChem Substance ID: 57651375
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: ≥98.0% (GC)
• mp: 113-114 °C (lit.)
• functional group: hydroxyl
• 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).

Safety Information

• Pictograms: GHS02
• Signal Word: Danger
• Hazard Statements: H228
• Precautionary Statements: P210
• Hazard Classifications: Flam. Sol. 1
• Storage Class Code: 4.1B - Flammable solid hazardous materials
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves