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Methyl Salicylate

CAT: 0572-TRC-M331025-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M331025-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119-36-8
Synonyms
Methyl salicylate; Methyl 2-hydroxybenzoate; 2-Hydroxybenzoic acid methyl ester; Salicylic acid, methyl ester (6CI,8CI); 2-(Methoxycarbonyl)phenol; 2-Carbomethoxyphenol; 2-Hydroxybenzoic acid methyl ester; Analgit; Anthrapole ND; Ben Gay; Exagien; Flucarmit; Methyl 2-hydroxybenzoate; Methyl ester 2-hydroxy benzoic acid; Methyl ester of 2-hydroxy benzoic acid; Methyl o-hydroxybenzoate; Methyl salicylate; NSC 8204; PredaLure; Wintergreen oil; o-Hydroxybenzoic acid methyl ester
Hazard Statement
Harmful if swallowed
Purity
>95% (GC)
Smiles
COC(=O)c1ccccc1O
Molecular Formula
C8 H8 O3
Molecular Weight
152.15
InChI
InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
Additionnal Information
IUPAC name: methyl 2-hydroxybenzoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl Salicylate

Methyl salicylate is a benzoate ester that is the methyl ester of salicylic acid. It has a role as an insect attractant, a metabolite and a flavouring agent. It is a methyl ester, a member of salicylates and a benzoate ester. It is functionally related to a salicylic acid.

CAS Number119-36-8
PubChem CID4133
IUPAC Namemethyl 2-hydroxybenzoate
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP2.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
COC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChIKey
OSWPMRLSEDHDFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl Salicylate
CAS: 119-36-8
CID: 4133
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area46.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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