3031-68-3

Name 2,4-HEXADIYNE-1,6-DIOL
CAS 3031-68-3
EINECS(EC#) 221-210-0
Molecular Formula C6H6O2
MDL Number MFCD00020619
Molecular Weight 110.11
MOL File 3031-68-3.mol
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Chemical Properties

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

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

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