tert-​Butyl propionate


Chemical Name: tert-​Butyl propionate
CAS Number: 20487-40-5
Product Number: AG003ULA(AGN-PC-0WAK9F)
Synonyms:
MDL No:
Molecular Formula: C7H14O2
Molecular Weight: 130.1849

Identification/Properties


Properties
MP:
-80.46℃ (estimate)
BP:
121.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
130.187g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
130.099g/mol
Monoisotopic Mass:
130.099g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
100
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:
Danger
UN#:
3272
Hazard Statements:
H225
Precautionary Statements:
P210
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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