Decanoic acid, 3-methylbutyl ester


Chemical Name: Decanoic acid, 3-methylbutyl ester
CAS Number: 2306-91-4
Product Number: AG002M2S(AGN-PC-0JLPA6)
Synonyms:
MDL No:
Molecular Formula: C15H30O2
Molecular Weight: 242.3975

Identification/Properties


Properties
BP:
124 °C / 3mmHg
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
1.4310-1.4330
Computed Properties
Molecular Weight:
242.403g/mol
XLogP3:
5.9
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-H315-H319-H335
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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