1,7-Heptanediol Structure

1,7-Heptanediol

Chemical Properties

Melting point 17-19 °C (lit.)
Boiling point 259 °C (lit.)
Density  0.951 g/mL at 25 °C (lit.)
refractive index  n20/D 1.455(lit.)
Flash point >230 °F
storage temp.  Inert atmosphere,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Liquid After Melting
pka 14.89±0.10(Predicted)
color  Clear colorless to yellow
Water Solubility  Soluble in water, slightly soluble in ether.
BRN  1633482
Henry's Law Constant 2.0×104 mol/(m3Pa) at 25℃, Saxena and Hildemann (1996)
InChI InChI=1S/C7H16O2/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H2
InChIKey SXCBDZAEHILGLM-UHFFFAOYSA-N
SMILES C(O)CCCCCCO
CAS DataBase Reference 629-30-1(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII D3WFS2RR58
NIST Chemistry Reference 1,7-Heptanediol(629-30-1)
UNSPSC Code 12352100
NACRES NA.22
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Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P305+P351+P338
Safety Statements  24/25
WGK Germany  3
RTECS  MI9804000
HS Code  29053980
Storage Class 10 - Combustible liquids
NFPA 704:
1
1 0

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