4-(Hexyloxy)phenyl 4-Butylbenzoate
Catalog Number
ACM38454283
CAS
38454-28-3
IUPAC Name
(4-hexoxyphenyl) 4-butylbenzoate
Synonyms
4-Butylbenzoic Acid 4-(Hexyloxy)phenyl Ester
Molecular Weight
354.48
Molecular Formula
C23H30O3
Product Information
Canonical SMILES
CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC
Inchi
InChI=1S/C23H30O3/c1-3-5-7-8-18-25-21-14-16-22(17-15-21)26-23(24)20-12-10-19(11-13-20)9-6-4-2/h10-17H,3-9,18H2,1-2H3
InChIKey
QZYDWVAYBOXUCW-UHFFFAOYSA-N
Melting Point
29 °C
Purity
97%+
Appearance
White to Light yellow powder to lump
storage
Sealed in dry. Room temperature.
Complexity
366
Hazard Statements
H413 : May cause long lasting harmful effects to aquatic life.
Heavy Atom Count
26
MDL Number
MFCD00060083
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.
Reaxys Registry Number
2060710
Rotatable Bond Count
12
Monoisotopic Mass
354.219495g/mol
Exact Mass
354.219495g/mol
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