ethyl 3,3-dimethylbutanoate


Chemical Name: ethyl 3,3-dimethylbutanoate
CAS Number: 5340-78-3
Product Number: AG003QGZ(AGN-PC-0JLRWN)
Synonyms:
MDL No:
Molecular Formula: C8H16O2
Molecular Weight: 144.2114

Identification/Properties


Properties
BP:
144-146°C
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
1.4035
Computed Properties
Molecular Weight:
144.214g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
144.115g/mol
Monoisotopic Mass:
144.115g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
111
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:
H226
Precautionary Statements:
P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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