Methyl salicylate

Methyl salicylate
Compound Structure:
Synonyms: Methyl 2-hydroxybenzoate; Methyl salicylate; Analgit; 2-Carbomethoxyphenol; Gaultheriaoel; Wintergruenoel; Flucarmit; Exagien; 2-Hydroxybenzoic acid methyl ester; Methyl o-hydroxybenzoate; Betula; 2-(Methoxycarbonyl)phenol
Compound ID: NMPC-1254
PubChem ID:

4133

Molecular Formula: C8H8O3
Canonical SMILES: COC(=O)C1=CC=CC=C1O
InChIKey: OSWPMRLSEDHDFF-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

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

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

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

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

First Aid

If the chemical contacts the eyes, remove contact lenses if present, flush with water or saline for 20-30 minutes, and transport to a hospital immediately, regardless of symptoms.

For skin exposure, flood with water, remove contaminated clothing, wash with soap and water, and seek medical help if redness or irritation occurs.

If inhaled, leave the area, breathe fresh air, use respiratory protection, and seek medical attention for symptoms such as wheezing or coughing.

If swallowed, do not induce vomiting. Give water if conscious, seek medical advice, and transport to a hospital, avoiding oral intake if convulsing or unconscious (NTP, 1992).

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.

Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

152.15 g/mol

XLogP3

2.3

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

2

Exact Mass

152.047344113 g/mol

Monoisotopic Mass

152.047344113 g/mol

Topological Polar Surface Area

46.5Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

144

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

colourless to yellowish liquid with a characteristic wintergreen odour

Boiling Point

220-224

Melting Point

-8.6 °C

Density

1.184 @ 25 °C/25 °C

Solubility 

slightly soluble in water; soluble in organic solvents, oils

Vapor Pressure

0.03 [mmHg]

Source: PubChem            

Source Species: Eichhornia crassipes
Ficus asperifolia
Hibiscus surattensis
Klainedoxa gabonensis
Tithonia diversifolia
Securidata longependuculat
Brachystegia eurycoma
Acalypha segetalis
Tecoma stans
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