Propanoic acid, 2,2-dimethyl-, ethyl ester


Chemical Name: Propanoic acid, 2,2-dimethyl-, ethyl ester
CAS Number: 3938-95-2
Product Number: AG003QHI(AGN-PC-0JKEXB)
Synonyms:
MDL No:
Molecular Formula: C7H14O2
Molecular Weight: 130.1849

Identification/Properties


Properties
MP:
-90°C
BP:
118°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.391(lit.)
Computed Properties
Molecular Weight:
130.187g/mol
XLogP3:
1.9
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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