1,2-Benzenedicarboxylic acid, mono(2-ethylhexyl) ester


Chemical Name: 1,2-Benzenedicarboxylic acid, mono(2-ethylhexyl) ester
CAS Number: 4376-20-9
Product Number: AG0032U7(AGN-PC-03HSHH)
Synonyms:
MDL No:
Molecular Formula: C16H22O4
Molecular Weight: 278.3435

Identification/Properties


Properties
MP:
25-27℃
BP:
408.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
n/D1.5051
Computed Properties
Molecular Weight:
278.348g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
9
Exact Mass:
278.152g/mol
Monoisotopic Mass:
278.152g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
314
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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