Molecular & Flavor Profile
Common name:	methyl salicylate
IUPAC name:	methyl 2-hydroxybenzoate
SMILES:	COC(=O)C1=CC=CC=C1O
CAS:	119-36-8, 68917-75-9, 90045-28-6
Flavor Profile:	mint, wintergreen, peppermint
FEMA Flavor Profile:	Almond , Caramel , Peppermint , Sharp
FEMA Number:	2745,3112,3113
Taste:	liquid having the characteristic taste of wintergreen
Odor:	liquid having the characteristic odor of wintergreen
Functional Groups:	hydroxy compound, phenol or hydroxyhetarene, carboxylic acid derivative, carboxylic acid ester, aromatic compound

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Common name: methyl salicylate
IUPAC name: methyl 2-hydroxybenzoate
CAS numbers: 119-36-8, 68917-75-9, 90045-28-6
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
FlavorDB/FEMA name: METHYL SALICYLATE
Synonyms: Methyl salicylate [JAN]; Analgit; o-Anisic acid; Benzoic acid, 2-hydroxy-, methyl ester; Benzoic acid, 2-methoxy-; Betula; Betula lenta; Betula oil; Birch oil, sweet; Exagien; Flucarmit; Gaultheria oil; Gaultheria oil, artificial; Gaultheriaoel; o-Hydroxybenzoic acid, methyl ester; 2-Hydroxybenzoic acid, methyl ester; o-Methoxybenzoic acid; 2-(Methoxycarbonyl)phenol; Methyl o-hydroxybenzoate; Methyl 2-hydroxybenzoate; Methyl salicylate; Natural wintergreen oil; Oil of wintergreen; Salicylic acid, methyl ester; Spicewood oil; Sweet birch oil; Synthetic wintergreen oil; Teaberry oil; Wintergreen oil; Wintergreen oil, synthetic; Wintergruenoel
FL number: 9.749
NAS number: 2745
CoE number: 433
EINECS number: 204-317-7
JECFA number: 899

Flavor profile: mint, wintergreen, peppermint
FooDB flavor profile: mint, wintergreen, peppermint
FEMA flavor profile: Almond, Caramel, Peppermint, Sharp
Odor: liquid having the characteristic odor of wintergreen
Taste: liquid having the characteristic taste of wintergreen
Functional groups: hydroxy compound, phenol or hydroxyhetarene, carboxylic acid derivative, carboxylic acid ester, aromatic compound
Bitter compound: No
Source description: Methyl salicylate has a minty, spicy, sweet, wintergreen-like odor

CoE status: Approved
FDA status: 27 CFR 21 et seq
JECFA status: 0 to 0.5 mg/kg bw. No safety concern at current level of intake when used as a flavoring agent (2001)

Aroma threshold values: 40 ppb
Taste threshold values: Taste characteristics at 10 ppm; sweet, salicylate and root beer with aromatic and balsamic nuances

Occurrence summary: Naturally occurring; Reported in 63 FlavorDB source entities
Source entity count: 63
Representative sources: Cognac Brandy, Plum Brandy, Rum, Scotch Whisky, Red Wine, White Wine, Coffee, Mate, Oats, Corn
Documented natural occurrence: Reported found in the oil of wintergreen (Gaultheria procumbens); subsequently found also in birch, tuberose, Dianthys caryophyllus L , Acacia cavenia Hook. and Arn , ylang-ylang and sweet grass oil. Also reported found in grapes, berries, raisin, papaya, strawberry jam, cooked potato, bell pepper, tomato, clove bud, Scotch spearmint oil, butter, cooked beef, cognac, rum, Scotch whiskey, white and port wines, coffee, tea, olive, passion fruit, plum, plumcot, beans, plum brandy, tamarind, prickly pear, corn oil, basil, kiwifruit, Bourbon vanilla, mountain papaya, clary and red sage, sopadilla fruit, cape gooseberry, hog plum, bilberry, black currant, Concord grape, peach, and maté

ADMET Solubility: -1.547
ADMET Solubility Level: 4.0
ADMET BBB: -0.452
ADMET BBB Level: 2.0
ADMET EXT Hepatotoxic: -2.79189
ADMET EXT Hepatotoxic prediction md: True
ADMET EXT Hepatotoxic applicability: All properties and OPS components are within expected ranges.
ADMET EXT Hepatotoxic applicability md: 9.65895
ADMET EXT Hepatotoxic applicability mdpvalue: 0.176506
ADMET Absorption Level: 0.0
ADMET EXT PPB: -3.03072
ADMET EXT PPB prediction: False
ADMET EXT PPB applicability: All properties and OPS components are within expected ranges.
ADMET EXT PPB applicability md: 10.3598
ADMET EXT PPB applicability mdpvalue: 0.7933359999999999
ADMET unknown AlogP98: 0.0
ADMET AlogP98: 1.443
ADMET PSA 2D: 47.04600000000001

Specifications: (JECFA, 2008); Acid value (max); 2.0; Refractive index; 1.534–1.538 (20°C); Appearance; Colorless to yellowish liquid; Solubility; Slightly soluble in water; soluble in ; organic solvents and oils; miscible in ; ethanol at room temperature; Assay (min); 98% C8H8O3; Specific gravity; 1.176–1.185 (25°C); Boiling point; 222°C

Food category usual/max:

Synthesis: By esterification from natural sources; by esterification of salicylic acid with methanol

Details of "Molecular & Flavor Profile" and physicochemical properties were obtained from PubChem Substance & Compound Databases, FooDB, Flavornet, SuperSweet, and BitterDB. 2D/3D and ADMET properties were obtained with Discovery Studio.