Dodecanoic acid, 1-methylethyl ester


Chemical Name: Dodecanoic acid, 1-methylethyl ester
CAS Number: 10233-13-3
Product Number: AG000776(AGN-PC-0JKHZX)
Synonyms:
MDL No: MFCD00451146
Molecular Formula: C15H30O2
Molecular Weight: 242.3975

Identification/Properties


Properties
MP:
4.2°C (estimate)
BP:
281.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.4280
Computed Properties
Molecular Weight:
242.403g/mol
XLogP3:
6.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
12
Exact Mass:
242.225g/mol
Monoisotopic Mass:
242.225g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
176
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Isopropyl dodecanoate is a versatile compound commonly employed in chemical synthesis for its unique properties. It serves as an excellent solvent in organic reactions and is often utilized as a reagent in esterification processes. With its high purity and stability, Isopropyl dodecanoate is an essential component in the synthesis of various organic compounds and assists in the formation of complex molecules. Its ability to facilitate efficient reactions makes it a valuable asset in the chemical industry, where precise synthesis is paramount for the production of pharmaceuticals, fragrances, and specialty chemicals.