Salicylic acid

Compound Structure:

Synonyms:

salicylic acid; 2-Hydroxybenzoic acid; 69-72-7 ;o-hydroxybenzoic acid ;2-Carboxyphenol

Compound ID:

NMPC-1463

PubChem ID:

338

Molecular Formula:

C7H6O3

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)O

InChIKey:

YGSDEFSMJLZEOE-UHFFFAOYSA-N

About the compound:

Salicylic acid is an organic compound with the formula HOC6H4COOH.[3] A colorless, bitter-tasting solid, it is a precursor to and a metabolite of aspirin (acetylsalicylic acid).[3] It is a plant hormone,[8] and has been listed by the EPA Toxic Substances Control Act (TSCA) Chemical Substance Inventory as an experimental teratogen.[9] The name is from Latin salix for willow tree, from which it was initially identified and derived. It is an ingredient in some anti-acne products. Salts and esters of salicylic acid are known as salicylates.[3]

GHS Hazard Statements

• H302: Harmful if swallowed [Warning Acute toxicity, oral]

• H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

• H361d: Suspected of damaging the unborn child [Warning Reproductive toxicity]

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	138.12 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	138.031694049 g/mol
Monoisotopic Mass	138.031694049 g/mol
Topological Polar Surface Area	57.5Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Salicylic acid is an odorless white to light tan solid. Sinks and mixes slowly with water. (USCG, 1999)
Boiling Point	211.00 °C. @ 20.00 mm Hg
Melting Point	158 °C
Density	1.443 g/cu cm at 20 °C/4 °C
Solubility	Solubility (weight percent): carbon tetrachloride 0.262 (25 °C); benzene 0.775 (25 °C); propanol 27.36 (21 °C); absolute ethanol 34.87 (21 °C); acetone 396 (23 °C)
Vapor Pressure	0.000082 [mmHg]

Source: PubChem

Source Species:

Luffa cylindrica

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