2,4-Pentanediol, 2-methyl-


Chemical Name: 2,4-Pentanediol, 2-methyl-
CAS Number: 107-41-5
Product Number: AG0033DV(AGN-PC-0JK8A9)
Synonyms:
MDL No:
Molecular Formula: C6H14O2
Molecular Weight: 118.1742

Identification/Properties


Properties
MP:
−40 °C(lit.)
BP:
198.0°C
Storage:
2-8℃;
Form:
Liquid
Stability:
Hygroscopic
Refractive Index:
n20/D 1.427(lit.)
Solubility:
H2O: 1 M at 20 °C, clear, colorless
Computed Properties
Molecular Weight:
118.176g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
118.099g/mol
Monoisotopic Mass:
118.099g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
68.9
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
H303-H315-H319
Precautionary Statements:
P264-P280-P302+P352-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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