1,3-Propanediol, 2-methyl-


Chemical Name: 1,3-Propanediol, 2-methyl-
CAS Number: 2163-42-0
Product Number: AG003HL2(AGN-PC-0CGPK1)
Synonyms:
MDL No:
Molecular Formula: C4H10O2
Molecular Weight: 90.1210

Identification/Properties


Properties
MP:
-91 °C(lit.)
BP:
221.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
n20/D 1.445(lit.)
Computed Properties
Molecular Weight:
90.122g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
90.068g/mol
Monoisotopic Mass:
90.068g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
24.7
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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