2,4-Pentanediol


Chemical Name: 2,4-Pentanediol
CAS Number: 625-69-4
Product Number: AG003FVN(AGN-PC-073SR5)
Synonyms:
MDL No:
Molecular Formula: C5H12O2
Molecular Weight: 104.1476

Identification/Properties


Properties
MP:
52.5°C
BP:
199.0°C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Hygroscopic
Refractive Index:
n20/D 1.435(lit.)
Solubility:
Fully miscible.
Computed Properties
Molecular Weight:
104.149g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
104.084g/mol
Monoisotopic Mass:
104.084g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
39.3
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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