1,3-Pentanediol, 2,2,4-trimethyl-


Chemical Name: 1,3-Pentanediol, 2,2,4-trimethyl-
CAS Number: 144-19-4
Product Number: AG001IRE(AGN-PC-0JK8SL)
Synonyms:
MDL No:
Molecular Formula: C8H18O2
Molecular Weight: 146.2273

Identification/Properties


Properties
MP:
50-53 °C(lit.)
BP:
232°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4513
Computed Properties
Molecular Weight:
146.23g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
146.131g/mol
Monoisotopic Mass:
146.131g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
97.4
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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