1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-


Chemical Name: 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-
CAS Number: 77-99-6
Product Number: AG003H6R(AGN-PC-0JK7M9)
Synonyms:
MDL No:
Molecular Formula: C6H14O3
Molecular Weight: 134.1736

Identification/Properties


Properties
MP:
56-58°C
BP:
295.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.4850 (estimate)
Solubility:
H2O: 0.1 g/mL, clear
Computed Properties
Molecular Weight:
134.175g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
134.094g/mol
Monoisotopic Mass:
134.094g/mol
Topological Polar Surface Area:
60.7A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
60.4
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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