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Basic Information
CAS No.: 607-88-5
Name: SALICYLIC ACID P-TOLYL ESTER
Article Data: 8
Molecular Structure:
Molecular Structure of 607-88-5 (SALICYLIC ACID P-TOLYL ESTER)
Formula: C14H12 O3
Molecular Weight: 228.247
Synonyms: Salicylicacid, p-tolyl ester (7CI,8CI); 4-Methylphenyl salicylate; NSC 60999; p-Cresylsalicylate; p-Tolyl salicylate
Density: 1.2196 (rough estimate)
Melting Point: 38 °C
Boiling Point: 310.05°C (rough estimate)
Flash Point: 134.7oC
Safety: Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 46.53000
LogP: 2.91980
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Chemistry

Molecule structure of p-Tolyl salicylate (CAS NO.607-88-5):

IUPAC Name: (4-Methylphenyl) 2-hydroxybenzoate 
Molecular Weight: 228.24328 g/mol
Molecular Formula: C14H12O3 
Density: 1.216 g/cm3 
Melting Point: 38 °C
Boiling Point: 327.8 °C at 760 mmHg
Flash Point: 134.7 °C
Index of Refraction: 1.605
Molar Refractivity: 64.6 cm3
Molar Volume: 187.5 cm3
Polarizability: 25.61×10-24 cm3
Surface Tension: 49.4 dyne/cm 
Enthalpy of Vaporization: 59.27 kJ/mol 
Vapour Pressure: 0.000104 mmHg at 25 °C
XLogP3: 4.1
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 4
Exact Mass: 228.078644
MonoIsotopic Mass: 228.078644
Topological Polar Surface Area: 46.5
Heavy Atom Count: 17
Complexity: 256
Canonical SMILES: CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
InChI: InChI=1S/C14H12O3/c1-10-6-8-11(9-7-10)17-14(16)12-4-2-3-5-13(12)15/h2-9,15H,1H3
InChIKey: AMYKXJAXRJCLCV-UHFFFAOYSA-N
EINECS: 210-144-8
Product Categories of p-Tolyl salicylate (CAS NO.607-88-5): Functional Materials; Liquid Crystals & Related Compounds; Phenyl Esters (Liquid Crystals)

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MOD

     FCTOD7    Food and Chemical Toxicology. 21 (1983),835.
2.    

orl-rat LD50:1300 mg/kg

     FCTOD7    Food and Chemical Toxicology. 21 (1983),835.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

RTECS: VO6800000
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 p-Tolyl salicylate (CAS NO.607-88-5) is also named as 3-10-00-00132 (Beilstein Handbook Reference) ; 4-Methylphenyl 2-hydroxybenzoate ; 4-Methylphenyl salicylate ; AI3-19491 ; BRN 2114441 ; NSC 60999 ; p-Cresyl salicylate ; Benzoic acid, 2-hydroxy-, 4-methylphenyl ester ; Salicylic acid, p-tolyl ester .