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629-41-4

Name Octane-1,8-diol
CAS 629-41-4
EINECS(EC#) 211-090-8
Molecular Formula C8H18O2
MDL Number MFCD00002989
Molecular Weight 146.23
MOL File 629-41-4.mol
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Chemical Properties

Appearance colorless to white crystals or flakes
Melting point  57-61 °C (lit.)
Boiling point  172 °C/20 mmHg (lit.)
density  1,053g/cm
refractive index  1,438-1,44
Fp  148°C
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Powder or Crystalline
pka 14.89±0.10(Predicted)
color  Off-white to pale yellow
Water Solubility  Soluble in water and methanol.
BRN  1633499
InChI InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
InChIKey OEIJHBUUFURJLI-UHFFFAOYSA-N
SMILES C(O)CCCCCCCO
LogP 0.970 (est)
CAS DataBase Reference 629-41-4(CAS DataBase Reference)
NIST Chemistry Reference 1,8-Octanediol(629-41-4)
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Safety Data

Hazard Codes  Xi,Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
HS Code  29053980

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