Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-


Chemical Name: Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-
CAS Number: 25812-30-0
Product Number: AG0034YR(AGN-PC-07A1ZO)
Synonyms:
MDL No:
Molecular Formula: C15H22O3
Molecular Weight: 250.3334

Identification/Properties


Properties
MP:
61-63°C
BP:
158-159 C
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.5020 (estimate)
Computed Properties
Molecular Weight:
250.338g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
250.157g/mol
Monoisotopic Mass:
250.157g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
273
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-H350-H360
Precautionary Statements:
P264-P270-P301+P312+P330-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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