-
Name
SALICYLIC ACID P-TOLYL ESTER
- EINECS
- CAS No. 607-88-5
- Article Data8
- CAS DataBase
- Density 1.2196 (rough estimate)
- Solubility
- Melting Point 38 °C
- Formula C14H12 O3
- Boiling Point 310.05°C (rough estimate)
- Molecular Weight 228.247
- Flash Point 134.7oC
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Salicylicacid, p-tolyl ester (7CI,8CI); 4-Methylphenyl salicylate; NSC 60999; p-Cresylsalicylate; p-Tolyl salicylate
- PSA 46.53000
- LogP 2.91980
p-Tolyl salicylate Chemical Properties
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)
p-Tolyl salicylate 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. |
p-Tolyl salicylate Consensus Reports
Reported in EPA TSCA Inventory.
p-Tolyl salicylate Safety Profile
RTECS: VO6800000
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
p-Tolyl salicylate 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 .
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