1,2-Propanediol, 3-(phenylmethoxy)-


Chemical Name: 1,2-Propanediol, 3-(phenylmethoxy)-
CAS Number: 4799-67-1
Product Number: AG000UUC(AGN-PC-04Y25K)
Synonyms:
MDL No:
Molecular Formula: C10H14O3
Molecular Weight: 182.2164

Identification/Properties


Properties
MP:
62.7-63.4 °C
BP:
355.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.533
Computed Properties
Molecular Weight:
182.219g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
182.094g/mol
Monoisotopic Mass:
182.094g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
121
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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