Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester


Chemical Name: Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester
CAS Number: 1166-52-5
Product Number: AG000CV5(AGN-PC-0JKBQN)
Synonyms:
MDL No:
Molecular Formula: C19H30O5
Molecular Weight: 338.4385

Identification/Properties


Properties
MP:
96-100 °C
BP:
521.7 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Air Sensitive
Refractive Index:
1.6120 (estimate)
Computed Properties
Molecular Weight:
338.444g/mol
XLogP3:
5.8
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
13
Exact Mass:
338.209g/mol
Monoisotopic Mass:
338.209g/mol
Topological Polar Surface Area:
87A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
322
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#:
N/A
Hazard Statements:
H317
Precautionary Statements:
P261-P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback