| Identification | More | [Name]
2,4-HEXADIYNE-1,6-DIOL | [CAS]
3031-68-3 | [Synonyms]
1,6-DIHYDROXY-2,4-HEXADIYNE
2,4-HEXADIENE-1,6-DIOL
2,4-HEXADIYN-1,6-DIOL
2,4-HEXADIYNE-1,6-DIOL
TIMTEC-BB SBB008793
2,4-Hexadiynediol
Diacetylene glycol
hexa-2,4-diyne-1,6-diol
Hexadiynediol
2,4-HEXADIYNE-1,6-DIOL 99+% | [EINECS(EC#)]
221-210-0 | [Molecular Formula]
C6H6O2 | [MDL Number]
MFCD00020619 | [Molecular Weight]
110.11 | [MOL File]
3031-68-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
113-114 °C (lit.) | [Boiling point ]
292.1±25.0 °C(Predicted) | [density ]
1.234±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C
| [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
12.26±0.10(Predicted) | [color ]
White to Light yellow to Light orange | [BRN ]
773791 | [InChI]
1S/C6H6O2/c7-5-3-1-2-4-6-8/h7-8H,5-6H2 | [InChIKey]
JXMQYKBAZRDVTC-UHFFFAOYSA-N | [SMILES]
OCC#CC#CCO | [CAS DataBase Reference]
3031-68-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
F | [Risk Statements ]
R11:Highly Flammable. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
UN 1325 4.1/PG 2
| [WGK Germany ]
3
| [F ]
4.5-8 | [HazardClass ]
4.1 | [PackingGroup ]
III | [HS Code ]
29052900 | [Storage Class]
4.1B - Flammable solid hazardous materials | [Hazard Classifications]
Flam. Sol. 1 |
| Hazard Information | Back Directory | [Uses]
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). | [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. | [Synthesis]
The reaction substrate acetylenic alcohol 0.112 g (2.0 mmol), triethylamine 0.202 g (2.0 mmol), and CuAl-LDH catalyst 0.29 g were weighed and placed together in a glass flask, and 10 mL of the organic solvent toluene was added, and the reaction was stirre |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,4-HEXADIYNE-1,6-DIOL(3031-68-3)MS
2,4-HEXADIYNE-1,6-DIOL(3031-68-3)1HNMR
2,4-HEXADIYNE-1,6-DIOL(3031-68-3)13CNMR
2,4-HEXADIYNE-1,6-DIOL(3031-68-3)IR1
2,4-HEXADIYNE-1,6-DIOL(3031-68-3)IR2
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