2,4-Hexadiyne-1,6-diol
ALDRICH/52490 - ≥98.0% (GC)
Synonym: 1,6-
CAS Number: 3031-68-3
Empirical Formula (Hill Notation): C6H6O2
Molecular Weight: 110.11
EC Number: 221-210-0
MDL Number: MFCD00020619
Linear Formula: HOCH2C≡CC≡CCH2OH
Product Type: Chemical
| assay | ≥98.0% (GC) |
| functional group | hydroxyl |
| InChI | 1S/C6H6O2/c7-5-3-1-2-4-6- |
| InChI key | JXMQYKBAZRDVTC-UHFFFAOYSA |
| mp | 113-114 °C (lit.) |
| Quality Level | 100  |
| SMILES string | OCC#CC#CCO |
| storage temp. | 2-8°C |
| 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). |
| 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. |
| Packaging: | 1, 5 g in glass bottle |
| Symbol |  GHS02 |
| Signal word | Danger |
| Hazard statements | H228 |
| Precautionary statements | P210 |
| Hazard Codes | F |
| Risk Statements | 11 |
| Safety Statements | 16-22-24/25 |
| RIDADR | UN1325 - class 4.1 - PG 2 - Flammable solids, organic, n.o.s., H |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | ≥98.0% (GC) |
| mp | 113-114 °C (lit.) |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |