Salicylic acid
Athanor · official
C7H6O3 · 138.12 g/mol
IUPAC name: 2-hydroxybenzoic acid
Also called 2-hydroxybenzoic acid, BHA, beta hydroxy acid
DangerHarmful if swallowed · Causes serious eye damage · Suspected of damaging the unborn childNames and identifiers
- IUPAC name
- 2-hydroxybenzoic acid
- Synonyms
- 2-hydroxybenzoic acid, BHA, beta hydroxy acid
+ 38 more
2-Hydroxybenzoic acid, o-hydroxybenzoic acid, 2-Carboxyphenol, o-Carboxyphenol, Retarder W, Rutranex, Salonil, Keralyt, Duoplant, Freezone, Saligel, Ionil, Psoriacid-S-stift, Benzoic acid, 2-hydroxy-, Stri-Dex, Salicylic acid soap, Verrugon, Salicylic acid collodion, Phenol-2-carboxylic acid, 2-Hydroxybenzenecarboxylic acid, Trans-Ver-Sal, Orthohydroxybenzoic acid, Acidum salicylicum, Acido salicilico, Ionil-Plus, Kyselina salicylova, Salicylic acid, tech., Clear away wart remover, Salicyclic acid, Dr. Scholl's callus removers, Dr. Scholl's corn removers, Occlusal, Dr. Scholl's wart remover kit, salicylicum acidum, Advanced pain relief callus removers, NSC-180, DTXSID7026368, O414PZ4LPZ
- Molecular formula
- C7H6O3
- Empirical formula
- C7H6O3
- Molecular weight
- 138.12 g/mol
- Exact mass
- 138.03169
- CAS number
- 69-72-7
- PubChem CID
- 338
- Canonical SMILES
- C1=CC=C(C(=C1)C(=O)O)O
- Isomeric SMILES
- C1=CC=C(C(=C1)C(=O)O)O
- InChI
- InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
- InChIKey
- YGSDEFSMJLZEOE-UHFFFAOYSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Physical properties
- Appearance
- Powder or needles from water[4]
4 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source – Salicylic acid is an odorless white to light tan solid. Sinks and mixes slowly with water. (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office. – Wet Solid; Other Solid; Dry Powder; Liquid [2] EPA Chemical Data Reporting (CDR) – ODOURLESS WHITE-TO-YELLOW POWDER. [3] ILO-WHO International Chemical Safety Cards (ICSCs) –shown Powder or needles from water [4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. 3178 - Odor
- SYNTHETIC ACID IS ODORLESS[4]
- Melting point
- 159 °C[3]
2 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source 157 °C 315 °F (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office. 159 °Cshown 159 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs) - Boiling point
- 256 °C (sublimes)[3]
- Density
- 1.44 at 20 °C (68 °F) (USCG, 1999) - Denser than water[1]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source –shown 1.44 at 68 °F (USCG, 1999) - Denser than water [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office. – Relative density (water = 1): 1.4 [3] ILO-WHO International Chemical Safety Cards (ICSCs) - Solubility in water
- Solubility in water, g/100ml at 20 °C: 0.2 (slightly soluble)[3]
3 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source – Soluble in oil of turpentine, alcohol, ether [4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 977 – In water, 2,240 mg/L at 25 °C [4] Hazardous Substances Data Bank (HSDB)cites Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Ver 5. Tucson, AZ: Univ AZ, College of Pharmacy (1992) –shown Solubility in water, g/100ml at 20 °C: 0.2 (slightly soluble) [3] ILO-WHO International Chemical Safety Cards (ICSCs) - log P
- log Kow = 2.26[4]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source –shown log Kow = 2.26 [4] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 29 – 2.3 [3] ILO-WHO International Chemical Safety Cards (ICSCs) - Vapor pressure
- Vapor pressure, Pa at 25 °C: 0.02[3]
2 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source 0.000082 mmHg 8.2X10-5 mm Hg at 25 °C [4] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989. 0.00015 mmHgshown Vapor pressure, Pa at 25 °C: 0.02 [3] ILO-WHO International Chemical Safety Cards (ICSCs) - Flash point
- 157 °C c.c.[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source 157 °C 315 °F (157 °C) (closed cup) [4] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-103 157 °Cshown 157 °C c.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs) - Autoignition temperature
- 540 °C (1004 °F)[4]
2 values
Sources disagree; from Hazardous Substances Data Bank (HSDB), the most authoritative.
Value As written Source 540 °Cshown 1004 °F (540 °C) [4] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-103 570 °C 570 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.
Calculated
- Heavy atoms
- 10
- Rings
- 1
- Aromatic rings
- 1
- Fraction sp³ carbons (Fsp3)
- 0
- H-bond donors
- 2
- H-bond acceptors
- 2 computed here · PubChem 3
- Rotatable bonds
- 1
- TPSA (Ų)
- 57.5
- Formal charge
- 0
- XLogP3
- 2.3 PubChem
- Complexity
- 133 PubChem
- Stereocenters
- None
- Double-bond geometry
- None specified
- Point group
- Cs of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C60.87%
- H4.38%
- O34.75%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- 1.09 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -1.76 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 1.43 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 138.12
- log P ≤ 5 (Crippen): 1.09
- H-bond donors ≤ 5: 2
- H-bond acceptors ≤ 10: 2
Passes all four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
Danger
Harmonized EU classification (CLP Annex VI). Source [5].
- Corrosive
- Harmful or irritant
- Health hazard
- H302Harmful if swallowed
- H318Causes serious eye damage
- H361dSuspected of damaging the unborn child
Precautionary statements: P203, P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P318, P330, P405, P501
View all classifications (3)
- [5] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH302, H318, H361d
- [6] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.1% (7 of 4704) of reports.
- [6] European Chemicals Agency (ECHA) · 4,704 reports · DangerH302, H312, H318, H319
First aid
- Inhalation: Move to fresh air. Ingestion: Induce vomiting and get medical attention promptly. Eyes: Promptly flush with water for 15 min. And get medical attention. Skin: Wash with soap and water. (USCG, 1999)[1]
- Fresh air, rest. Refer for medical attention.[3]
- Remove contaminated clothes. Rinse and then wash skin with water and soap.[3]
- First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.[3]
Storage
- Separated from incompatible materials. See Chemical Dangers.[3]
- Salicylic acid should be stored in well-closed containers. Salicylic acid collodion should be stored in tight containers at 15-30 °C. Because the collodion is flammable, it should not be stored near heat or an open flame. Salicylic acid plaster should be stored in well-closed containers, preferably at 15-30 °C. The Trans-Ver-Sal plaster should be stored at a temperature less than 37.8 °C.[4]
Incompatibilities
- Incompatability: Iron salts, spirit nitrous ether, lead acetate, iodine.[4]
Safety data sheets on the supplier’s page: RR Scientific, VladaChem, MuseChem.
Always read the supplier’s safety data sheet before working with it.
Spectra
- NMRNMRShiftDB
- 1H NMRHuman Metabolome Database (HMDB) (Varian · 500 MHz · Water) · Human Metabolome Database (HMDB) (Bruker · D2O) · SpectraBase
- 13C NMRHuman Metabolome Database (HMDB) (Bruker · D2O) · SpectraBase
- 1H-1H NMRHuman Metabolome Database (HMDB)
- 1H-13C NMRHuman Metabolome Database (HMDB) (Bruker · 600 MHz · Water)
- GC-MSHuman Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (GC-MS) · Human Metabolome Database (HMDB) (GC-EI-TOF · positive) · MassBank of North America (MoNA) (Leco Pegasus IV · GC-EI-TOF · positive) · MassBank of North America (MoNA) (HITACHI M-80A · EI-B · positive) · MassBank of North America (MoNA) (GC-MS)
- MS-MSHuman Metabolome Database (HMDB) (Quattro_QQQ · Negative) · Human Metabolome Database (HMDB) (Quattro_QQQ · Negative) · Human Metabolome Database (HMDB) (Quattro_QQQ · Negative) · Human Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Negative)
- LC-MSMassBank Europe (Bruker maXis Impact · LC-ESI-QTOF · NEGATIVE) · MassBank Europe (TripleTOF 5600 SCIEX · LC-ESI-QTOF · NEGATIVE) · MassBank Europe (TripleTOF 5600 SCIEX · LC-ESI-QTOF · NEGATIVE) · MassBank Europe (TripleTOF 5600 SCIEX · LC-ESI-QTOF · NEGATIVE) · MassBank Europe (TripleTOF 5600 SCIEX · LC-ESI-QTOF · NEGATIVE) · MassBank Europe (TripleTOF 5600 SCIEX · LC-ESI-QTOF · NEGATIVE)
- Other MSHazardous Substances Data Bank (HSDB) · MassBank Europe (HITACHI M-80A · EI-B · POSITIVE) · MassBank of North America (MoNA) (TQD, Waters · Flow-injection QqQ/MS · ESI) · MassBank of North America (MoNA) (TQD, Waters · Flow-injection QqQ/MS · ESI) · MassBank of North America (MoNA) (TQD, Waters · Flow-injection QqQ/MS · ESI)
- UVHazardous Substances Data Bank (HSDB)
- UV-VISSpectraBase
- IRHazardous Substances Data Bank (HSDB)
- FTIRSpectraBase (NUJOL MULL)
- ATR-IRSpectraBase (Bio-Rad FTS · ATR-Neat (DuraSamplIR II))
- Vapor Phase IRSpectraBase (DIGILAB FTS-14 · Vapor Phase)
- RamanHazardous Substances Data Bank (HSDB) · SpectraBase (Bruker MultiRAM Stand Alone FT-Raman Spectrometer · FT-Raman)
Experimental spectra held by these sources; each link opens the source's own record.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
- [2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
- [3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [4]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
- [5]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [6]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
- [7]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
- [8]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
- [9]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- [10]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [11]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
- [12]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.