Butanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester


Chemical Name: Butanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester
CAS Number: 999-40-6
Product Number: AG003VOO(AGN-PC-0OPB2D)
Synonyms:
MDL No:
Molecular Formula: C14H24O2
Molecular Weight: 224.3392

Identification/Properties


Properties
BP:
240 °C(lit.)
Storage:
Room Temperature;
Refractive Index:
n20/D 1.459(lit.)
Computed Properties
Molecular Weight:
224.344g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
8
Exact Mass:
224.178g/mol
Monoisotopic Mass:
224.178g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
258
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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