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Phenyl Salicylate, Crystal, Purified

Catalog Number
ACM118558-1
Product Name
Phenyl Salicylate, Crystal, Purified
Structure
CAS
118-55-8
Category
Liquid Crystal (LC) Building Blocks
Description
Phenyl salicylate appears as white crystals. Insoluble in water. (NTP, 1992);Solid;White crystalline solid
IUPAC Name
phenyl 2-hydroxybenzoate
Molecular Weight
214.22g/mol
Molecular Formula
C13H10O3
Canonical SMILES
C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H
InChI Key
ZQBAKBUEJOMQEX-UHFFFAOYSA-N
Boiling Point
342 to 343 °F at 760 mm Hg (NTP, 1992);172-173
Melting Point
106 to 109 °F (NTP, 1992);41-43;Mp 43 °;43°C
Density
1.2614 at 86 °F (NTP, 1992)
Solubility
Insoluble (NTP, 1992);insoluble;7.00e-04 M;0.15 mg/mL at 25 °C;0.15 mg/mL at 25 °C;insoluble in water; soluble in 50% Heptane;moderately soluble (in ethanol)
Complexity
233
Covalently-Bonded Unit Count
1
EC Number
204-259-2
Exact Mass
214.062994g/mol
Formal Charge
0
Heavy Atom Count
16
MeSH Entry Terms
phenyl salicylate;salol
Monoisotopic Mass
214.062994g/mol
NSC Number
33406
Rotatable Bond Count
3
UNII
28A37T47QO
XLogP3
3.8
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