4-n-Octyloxyphenyl 4-Pentylbenzoate
Catalog Number
ACM50649644-1
CAS
50649-64-4
IUPAC Name
(4-octoxyphenyl) 4-pentylbenzoate
Synonyms
4-Amylbenzoic Acid 4-n-Octyloxyphenyl Ester
Molecular Weight
396.56
Molecular Formula
C26H36O3
Product Information
Canonical SMILES
CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCC
Inchi
InChI=1S/C26H36O3/c1-3-5-7-8-9-11-21-28-24-17-19-25(20-18-24)29-26(27)23-15-13-22(14-16-23)12-10-6-4-2/h13-20H,3-12,21H2,1-2H3
InChIKey
ITWWXCLUKGZJRY-UHFFFAOYSA-N
Purity
99%+
Solubility
slightly soluble in Methanol
Appearance
White to Light yellow to Light orange powder to crystal
storage
Room temperature.
Complexity
406
Heavy Atom Count
29
MDL Number
MFCD00059446
Reaxys Registry Number
2302954
Rotatable Bond Count
15
Monoisotopic Mass
396.266445g/mol
Exact Mass
396.266445g/mol
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