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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