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4-Octylphenyl Salicylate

Catalog Number
ACM2512563-1
Product Name
4-Octylphenyl Salicylate
Structure
CAS
2512-56-3
Category
Liquid Crystal (LC) Building Blocks
Synonyms
Salicylic Acid 4-Octylphenyl Ester
IUPAC Name
(4-octylphenyl) 2-hydroxybenzoate
Molecular Weight
326.43
Molecular Formula
C21H26O3
SMILES
CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C21H26O3/c1-2-3-4-5-6-7-10-17-13-15-18(16-14-17)24-21(23)19-11-8-9-12-20(19)22/h8-9,11-16,22H,2-7,10H2,1H3
InChIKey
VNFXPOAMRORRJJ-UHFFFAOYSA-N
Melting Point
73-76 ºC
Purity
95%+
Appearance
White to Almost white powder to crystal
Status
0
Hazard Statements
H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Complexity
347
Formal Charge
0
Exact Mass
326.188195g/mol
Monoisotopic Mass
326.188195g/mol
XLogP3
7.9
Covalently-Bonded Unit Count
1
Heavy Atom Count
24
Rotatable Bond Count
10
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