Salicylic acid

An aromatic beta-hydroxy acid widely used in dermatological preparations for the treatment of acne, psoriasis, dandruff, corns, calluses, and common warts. Salicylic acid promotes exfoliation by reducing cohesion between cells of the stratum corneum, helping remove excess keratin and unclog pores. It also exhibits mild anti-inflammatory properties and serves as an important chemical precursor in the synthesis of acetylsalicylic acid (aspirin)

Compound Structure

CAS Number: 69-72-7

Molecular Mass: 138.12 g/mol

Formula: C7H6O3

Smiles: O=C(O)c1ccccc1O

Synonymes:

Bioactivity: Keratolytic agent; topical anti-acne and anti-psoriatic agent

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,4-Dioxane 298.15 - 569.1 [75]
1,4-Dioxane 316.85 - 753.1 [24]
1,4-Dioxane 321.55 - 798.0 [24]
1,4-Dioxane 325.55 - 841.0 [24]
1,4-Dioxane 330.85 - 892.7 [24]
1-Butanol 278.15 - 182.0 [74]
1-Butanol 283.15 - 199.4 [74]
1-Butanol 288.15 - 217.5 [74]
1-Butanol 293.15 - 238.9 [74]
1-Butanol 298.15 - 261.7 [74]
1-Butanol 303.15 - 284.0 [74]
1-Butanol 308.15 - 312.4 [74]
1-Butanol 313.15 - 338.9 [74]
1-Butanol 318.15 - 371.1 [74]
1-Hexanol 278.15 - 147.6 [74]
1-Hexanol 283.15 - 162.3 [74]
1-Hexanol 288.15 - 176.0 [74]
1-Hexanol 293.15 - 188.9 [74]
1-Hexanol 298.15 - 207.4 [74]
1-Hexanol 303.15 - 223.3 [74]
1-Hexanol 308.15 - 243.0 [74]
1-Hexanol 313.15 - 263.4 [74]
1-Hexanol 318.15 - 285.9 [74]
1-Pentanol 278.15 - 164.5 [74]
1-Pentanol 283.15 - 180.1 [74]
1-Pentanol 288.15 - 195.5 [74]
1-Pentanol 293.15 - 214.7 [74]
1-Pentanol 298.15 - 233.1 [74]
1-Pentanol 303.15 - 252.3 [74]
1-Pentanol 308.15 - 276.8 [74]
1-Pentanol 313.15 - 297.6 [74]
1-Pentanol 318.15 - 323.5 [74]
1-Propanol 278.15 - 212.3 [74]
1-Propanol 283.15 - 232.5 [74]
1-Propanol 288.15 - 254.0 [74]
1-Propanol 293.15 - 279.4 [74]
1-Propanol 298.15 - 306.1 [74]
1-Propanol 298.2 - 279.5 [78]
1-Propanol 303.15 - 333.6 [74]
1-Propanol 308.15 - 367.3 [74]
1-Propanol 308.2 - 321.0 [78]
1-Propanol 313.15 - 398.9 [74]
1-Propanol 318.15 - 438.9 [74]
1-Propanol 318.2 - 350.5 [78]
1-Propanol 328.2 - 388.4 [78]
1-Propanol 338.2 - 426.9 [78]
Acetic acid 298.15 - 134.5 [77]
Acetic acid 303.15 - 157.0 [77]
Acetic acid 308.15 - 181.2 [77]
Acetic acid 313.15 - 201.2 [77]
Acetic acid 318.15 - 233.2 [77]
Acetone 253.15 - 199.9 [76]
Acetone 258.15 - 214.2 [76]
Acetone 263.15 - 237.5 [76]
Acetone 268.15 - 250.7 [76]
Acetone 273.15 - 268.8 [76]
Acetone 278.15 - 307.1 [76]
Acetone 283.15 - 318.2 [76]
Acetone 298.15 - 395.9 [77]
Acetone 298.2 - 296.2 [78]
Acetone 303.15 - 451.3 [77]
Acetone 308.15 - 468.9 [77]
Acetone 308.2 - 296.8 [78]
Acetone 313.15 - 509.2 [77]
Acetone 318.15 - 543.0 [77]
Acetone 318.2 - 334.8 [78]
Acetone 328.2 - 434.9 [78]
Acetonitrile 243.15 - 14.7 [76]
Acetonitrile 248.15 - 17.2 [76]
Acetonitrile 253.15 - 19.9 [76]
Acetonitrile 258.15 - 23.4 [76]
Acetonitrile 263.15 - 28.0 [76]
Acetonitrile 268.15 - 33.1 [76]
Acetonitrile 273.15 - 38.7 [76]
Acetonitrile 278.15 - 43.42 [76]
Acetonitrile 283.15 - 50.31 [76]
Ethanol 278.15 - 292.6 [74]
Ethanol 283.15 - 316.6 [74]
Ethanol 288.15 - 341.3 [74]
Ethanol 293.15 - 372.0 [74]
Ethanol 298.15 - 401.0 [74]
Ethanol 298.15 - 399.4 [75]
Ethanol 303.15 - 434.7 [74]
Ethanol 308.15 - 475.8 [74]
Ethanol 313.15 - 515.4 [74]
Ethanol 318.15 - 564.3 [74]
Ethyl acetate 253.15 - 87.33 [76]
Ethyl acetate 258.15 - 103.0 [76]
Ethyl acetate 263.15 - 119.0 [76]
Ethyl acetate 268.15 - 137.0 [76]
Ethyl acetate 273.15 - 140.0 [76]
Ethyl acetate 278.15 - 158.0 [76]
Ethyl acetate 283.15 - 171.5 [76]
Ethyl acetate 298.15 - 209.5 [77]
Ethyl acetate 298.15 - 225.0 [75]
Ethyl acetate 303.15 - 226.9 [77]
Ethyl acetate 308.15 - 252.0 [77]
Ethyl acetate 313.15 - 271.7 [77]
Ethyl acetate 318.15 - 296.4 [77]
Heptanol 278.15 - 131.5 [74]
Heptanol 283.15 - 144.7 [74]
Heptanol 288.15 - 156.8 [74]
Heptanol 293.15 - 170.5 [74]
Heptanol 298.15 - 185.9 [74]
Heptanol 303.15 - 200.5 [74]
Heptanol 308.15 - 218.4 [74]
Heptanol 313.15 - 235.6 [74]
Heptanol 318.15 - 254.4 [74]
Isopropanol 298.2 - 302.0 [78]
Isopropanol 308.2 - 340.7 [78]
Isopropanol 318.2 - 367.2 [78]
Isopropanol 328.2 - 420.3 [78]
Isopropanol 338.2 - 467.0 [78]
Methanol 253.15 - 230.1 [76]
Methanol 258.15 - 247.0 [76]
Methanol 263.15 - 265.4 [76]
Methanol 268.15 - 285.0 [76]
Methanol 273.15 - 316.0 [76]
Methanol 278.15 - 340.0 [76]
Methanol 283.15 - 380.0 [76]
Methanol 298.15 - 476.4 [77]
Methanol 298.15 - 472.3 [75]
Methanol 303.15 - 535.7 [77]
Methanol 308.15 - 591.3 [77]
Methanol 313.15 - 649.8 [77]
Methanol 318.15 - 688.8 [77]
Toluene 305.65 - 9.0 [24]
Toluene 314.15 - 14.1 [24]
Toluene 323.45 - 21.7 [24]
Toluene 326.85 - 24.3 [24]
Toluene 329.05 - 26.8 [24]
Toluene 332.25 - 31.9 [24]
Toluene 333.35 - 34.5 [24]
Water 283.15 - 1.532 [79]
Water 293.15 - 1.569 [22]
Water 298.15 - 2.549 [79]
Water 298.15 - 1.919 [22]
Water 298.15 - 2.3 [75]
Water 298.2 - 2.253 [78]
Water 303.15 - 2.337 [22]
Water 307.15 - 3.364 [79]
Water 308.15 - 2.836 [22]
Water 308.2 - 2.7 [78]
Water 313.15 - 3.5 [22]
Water 317.15 - 4.351 [79]
Water 318.15 - 5.145 [79]
Water 318.2 - 3.84 [78]
Water 320.15 - 5.101 [79]
Water 323.15 - 5.629 [79]
Water 324.15 - 5.952 [79]
Water 325.15 - 6.419 [79]
Water 327.15 - 7.068 [79]
Water 328.15 - 7.296 [79]
Water 328.2 - 5.272 [78]
Water 330.65 - 8.372 [79]
Water 334.65 - 9.85 [79]
Water 338.2 - 7.09 [78]
Water 339.15 - 11.21 [79]

Molecule 3D descriptors

Descriptor Value
PMI1 214.2200
PMI2 418.1407
PMI3 632.3607
NPR1 0.3388
NPR2 0.6612
RadiusOfGyration 2.1397
InertialShapeFactor 0.0031
Eccentricity 0.9409
Asphericity 0.3280
SpherocityIndex 0.0000
PBF 0.0000