3-Hydroxy-5-methylbenzoic acid supplier

Name
3-HYDROXY-5-METHYL-BENZOIC ACID
EINECS
CAS No. 585-81-9
Article Data2
CAS DataBase
Density 1.304 g/cm³
Solubility
Melting Point 210°C
Formula C₈H₈O₃
Boiling Point 351 °C at 760 mmHg
Molecular Weight 152.15
Flash Point 180.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Cresoticacid (8CI);3-Hydroxy-5-methylbenzoic acid;5-Hydroxy-m-toluic acid;NSC 28456;
PSA 57.53000
LogP 1.39880

3-Hydroxy-5-methylbenzoic acid Specification

The Benzoic acid, 3-hydroxy-5-methyl-, with the CAS registry number of 585-81-9, is also known as 3, 5-Cresoticacid (8CI). This chemical's molecular formula is C₈H₈O₃ and molecular weight is 152.14732. What's more, its IUPAC name is 3-Hydroxy-5-methylbenzoic acid.

Physical properties about Benzoic acid, 3-hydroxy-5-methyl- are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.48; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.25; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 39.88 cm³; (14)Molar Volume: 116.6 cm³; (15)Surface Tension: 58 dyne/cm; (16)Density: 1.304 g/cm³; (17)Flash Point: 180.3 °C; (18)Enthalpy of Vaporization: 62.85 kJ/mol; (19)Boiling Point: 351 °C at 760 mmHg; (20)Vapour Pressure: 1.58E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(O)cc(c1)C
(2) InChI: InChI=1/C8H8O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3,(H,10,11)
(3) InChIKey: CFXOUQXGRQXUSE-UHFFFAOYAK

Product Name

3-HYDROXY-5-METHYL-BENZOIC ACID

3-Hydroxy-5-methylbenzoic acid Specification

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