(S)-2-Octyl 4-[4-(Hexyloxy)benzoyloxy]benzoate
Catalog Number
ACM87321208
CAS
87321-20-8
IUPAC Name
[4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate
Synonyms
4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (S)-2-Octyl Ester
Molecular Weight
454.61
Molecular Formula
C28H38O5
Product Information
Canonical SMILES
CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC
InChI
InChI=1S/C28H38O5/c1-4-6-8-10-12-22(3)32-27(29)23-15-19-26(20-16-23)33-28(30)24-13-17-25(18-14-24)31-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3/t22-/m0/s1
InChI Key
PLGPDUBTEHIWRH-QFIPXVFZSA-N
Boiling Point
565.8 °C / 760 mmHg
Melting Point
49 °C
Purity
>98.0%(GC)
Appearance
White to Almost white powder to crystal
Storage
Sealed in dry. Room temperature.
Complexity
532
Exact Mass
454.271924g/mol
Hazard Statements
H413 : May cause long lasting harmful effects to aquatic life.
Heavy Atom Count
33
MDL Number
MFCD01941070
Monoisotopic Mass
454.271924g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.
Reaxys Registry Number
6540187
Rotatable Bond Count
17
Signal Word
Warning
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