Basic information
- Name:
6-Methylsalicylic acid
- Superlist Name:
- 2-Hydroxy-6-methylbenzoic acid
- CAS No.:
567-61-3
- Molecular Structure:
- Formula:
- C8H8O3
- Molecular Weight:
- 152.15
- Synonyms:
- 2,6-Cresoticacid (8CI);2-Hydroxy-6-methylbenzoic acid;6-Hydroxy-o-toluic acid;6-MS;6-MSA;
- Density:
- 1.304 g/cm3
- Boiling Point:
- 300.4 °C at 760 mmHg
- Flash Point:
- 149.7 °C
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Chemistry
Product Name: 6-Methylsalicylic acid (CAS NO.567-61-3)
Molecular Formula: C8H8O3
Molecular Weight: 152.15g/mol
Mol File: 567-61-3.mol
Boiling point: 300.4 °C at 760 mmHg
Flash Point: 149.7 °C
Density: 1.304 g/cm3
Surface Tension: 58 dyne/cm
Enthalpy of Vaporization: 57.07 kJ/mol
Vapour Pressure: 0.0005 mmHg at 25°C
XLogP3-AA: 1.9
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of 6-Methylsalicylic acid (CAS NO.567-61-3):
IUPAC Name: 2-hydroxy-6-methylbenzoic acid
Canonical SMILES: CC1=C(C(=CC=C1)O)C(=O)O
InChI: InChI=1S/C8H8O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKey: HCJMNOSIAGSZBM-UHFFFAOYSA-N
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Carboxylic Acids; Phenyls & Phenyl-Het; Carboxylic Acids; Phenyls & Phenyl-Het
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 250mg/kg (250mg/kg) | Acta Pharmaceutica Suecica. Vol. 7, Pg. 289, 1970. |
Specification
6-Methylsalicylic acid , its CAS NO. is 567-61-3, the synonyms are 2-Hydroxy-6-methylbenzoic acid ; 4-10-00-00594 (Beilstein Handbook Reference) ; 6-Hydroxy-o-toluic acid ; 6-MS ; 6-MSA ; BRN 2208693 ; NSC 403256 ; 2,6-Cresotic acid ; Benzoic acid, 2-hydroxy-6-methyl- (9CI) .
