1,3-Propanediol, 2-butyl-2-ethyl-


Chemical Name: 1,3-Propanediol, 2-butyl-2-ethyl-
CAS Number: 115-84-4
Product Number: AG000FKE(AGN-PC-0JL48N)
Synonyms:
MDL No:
Molecular Formula: C9H20O2
Molecular Weight: 160.2539

Identification/Properties


Properties
BP:
262°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
160.257g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
6
Exact Mass:
160.146g/mol
Monoisotopic Mass:
160.146g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
87.6
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:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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