Name | 2,4-hexadiyne-1,6-diol |
Synonyms | 2,4-Hexadiynediol Diacetylene glycol TIMTEC-BB SBB008793 2,4-HEXADIYN-1,6-DIOL 2,4-Hexadiyn-1,6-diol 2,4-HEXADIYNE-1,6-DIOL 2,4-HEXADIENE-1,6-DIOL 2,4-hexadiyne-1,6-diol hexa-2,4-diyne-1,6-diol 1,6-DIHYDROXY-2,4-HEXADIYNE |
CAS | 3031-68-3 |
EINECS | 221-210-0 |
InChI | InChI=1/C6H6O2/c7-5-3-1-2-4-6-8/h7-8H,5-6H2 |
Molecular Formula | C6H6O2 |
Molar Mass | 110.11 |
Density | 1.234±0.06 g/cm3(Predicted) |
Melting Point | 113-114 °C (lit.) |
Boling Point | 292.1±25.0 °C(Predicted) |
Flash Point | 151°C |
Solubility | soluble in Methanol |
Vapor Presure | 0.0002mmHg at 25°C |
Appearance | powder to crystal |
Color | White to Light yellow to Light orange |
BRN | 773791 |
pKa | 12.26±0.10(Predicted) |
Storage Condition | 2-8°C |
Refractive Index | 1.561 |
MDL | MFCD00020619 |
Hazard Symbols | F - Flammable![]() |
Risk Codes | 11 - Highly Flammable |
Safety Description | S16 - Keep away from sources of ignition. S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
UN IDs | UN 1325 4.1/PG 2 |
WGK Germany | 3 |
FLUKA BRAND F CODES | 4.5-8 |
HS Code | 29052900 |
Hazard Class | 4.1 |
Packing Group | III |
Application | 2,4-hexadiyne -1,6-diol is a 1, 3-diyne derivative. 1, 3-diyne derivatives are important structural units of many natural products, luminescent materials and supramolecular compounds. |
preparation | weigh 0.112g(2.0mmol) of propargyl alcohol, 0.202g(2.0mmol) of triethylamine and 0.29g of CuAl-LDH catalyst, place them in a glass flask together, add 10mL of organic solvent toluene, and stir for reaction at normal temperature and pressure for 16 hours. After stopping the reaction, the reaction mixed solution in the flask was filtered. The filtered solid is washed with toluene 2-3 times, and then dried at 40- 150 ℃ for 2-20 hours, which is directly used in the next catalytic cycle. The filtrate was combined with the washed solvent, concentrated with a rotary evaporator, and then separated by a silica gel column. The eluent was n-hexane/ethyl acetate, and the yield of 2, 4-diyne -1, 6-hexanediol was 86%. |