Compound: methyl salicylate
SMILES: O=C(OC)c1c(O)cccc1
InChIKey: OSWPMRLSEDHDFF-UHFFFAOYSA-N
Synonyms: methyl salicylate, Methyl 2-hydroxybenzoate, 119-36-8, Analgit, Flucarmit, Exagien, Betula, 2-Hydroxybenzoic acid methyl ester, Gaultheriaoel, Wintergruenoel, 2-Carbomethoxyphenol, Methyl o-hydroxybenzoate, methylsalicylate, 2-(Methoxycarbonyl)phenol, Salicylic acid, methyl ester, Anthrapole ND, Benzoic acid, 2-hydroxy-, methyl ester, FEMA No. 2745, o-Hydroxybenzoic acid, methyl ester, FEMA Number 2745, Flavor,wintergreen, Metylester kyseliny salicylove, FEMA No. 2154, FEMA No. 3113, DTXSID5025659, NSC-8204, Methylester kyseliny salicylove, LAV5U5022Y, DTXCID805659, CHEBI:31832, O-hydroxybenzoic acid methyl ester, SALONPAS COMPONENT METHYL SALICYLATE, Nasciodine, Rhodiaflor, Aspellin, Balmosa, Methylten, Ubredol, Sloans, Dubam, Kofal Original, Thera-gesic, Kofal Fuerte, Bengue's balsam, Deep heat, Gppe lin, Gppe rub, Radian-b, Thera Derm, Balsamo de Ubre, Veneno de Abeja, Bumooly-S, Wintergreen oil,, Aspi-Rub, Hyundai Moolpas F, Methyl salicylate,, FlexSport Roll On, Germa Ubre Mastitis, Ling Nam Hung Far, Koong Yick Hung Fa, Mascura la Vaca Plus, Natralia Cramp Relief, Methyl Salicylate 2%, XCEPTOR PAIN, Ringmaster Rubbing Oil, RefChem:6465, teds topical pain cream, Aspi-Rub Pain Reliever, XCEPTOR CBD PAIN, 10% Methyl Salicylate, Balsamo de Ubre Mascura, Methyl Salicylate 10%, East Coast Joint Relief, Dermaline Arnica 3 in 1, Germa Linimento Ubre Plus, COATS ALOE ANALGESIC, Germa Snake Oil Bee Venom, Dermaline 3 in 1 Roll On, Dermaline Arnica Salve Black, Methyl Salicylate 25% Cream, Methyl Salicylate 25 Percent, Methyl Salicylate 40 Percent, Rapid Relief Hot Relief Patch, HYSAN HUA TUO MEDICATED, METHYL SALICYLATE, ALOE, Herb Street Sore Muscle Relief, XCEPTOR CBD PAIN MENTHOL, DTXSID9043724, Germa Manteca Ubre Plus (RED), Germa Manteca Ubre Plus (TIN), Germa Manteca Ubre Plus (YELLOW), Methyl Salicylate 40% Topical Oil, Germa Linimento Ubre Plus (Roll-On), Neuro Max Pain and Muscle Relief Gel, GREEN FARM POTENT THERMAL RELIEF, Veneno de Abeja Aceite De Vibora Brand, SmartRx Natural Pain Relief Sleeve BACK, SmartRx Natural Pain Relief Sleeve KNEE, SUNSET PAIN RELIEF-HEATING RELIEF, 10% Methyl Salicylate Pain Relief Patch, foot works arthritis achy foot and muscle, SmartRx Natural Pain Relief Sleeve ANKLE, SmartRx Natural Pain Relief Sleeve ELBOW, SmartRx Natural Pain Relief Sleeve WRIST, AVON footworks Arthritis Achy Foot and Muscle, AVON Foot Works Arthritis Achy Foot and Muscle, Jason Cooling Minerals and Tea Tree Pain Therapy, 204-317-7, BIRCH-ME, Methyl  salicylate, MFCD00002214, 90045-28-6, Salicylic Acid Methyl Ester, methyl hydroxybenzoate, NSC 8204, 2-Hydroxy-benzoic acid methyl ester, 2-Hydroxybenzoic acid, methyl ester, 8024-54-2, Methyl salicylate,synthetic, NCGC00091106-02, 302912-49-8, Caswell No. 577, Methyl2-Hydroxybenzoate, Panalgesic, Theragesic, PredaLure, Methyl salicylate [JAN], Ben Gay, Methyl salicylate (natural), CAS-119-36-8, CCRIS 6259, HSDB 1935, EINECS 204-317-7, Benzoic acid, hydroxy-, methyl ester, EPA Pesticide Chemical Code 076601, Metylester kyseliny salicylove [Czech], Methylester kyseliny salicylove [Czech], BRN 0971516, UNII-LAV5U5022Y, Wintergreen, Methyl salicylate [JAN:NF], AI3-00090, Oils,wintergreen, methyl-salicylate, 1-O-methylsalicylate, Methyl salicylate CRS, Salonpas (Salt/Mix), salicylate methyl ester, Theragesic (Salt/Mix), wintergreen leaf extract, Methyl salicylate, 8CI, methyl-2-hydroxybenzoate, Enamine_001611, Methyl salicylate, 98%, Birch-Me, AR,99%, Methyl salicylate, BioXtra, salicylic-acid methyl ester, WLN: QR BVO1, EC 204-317-7, WINTERGREEN [VANDF], SCHEMBL5312, Methyl salicylate 100 microg/mL in Acetonitrile, Methyl Salicylate (Standard), 4-10-00-00143 (Beilstein Handbook Reference), BIDD:ER0323, SCHEMBL162835, METHYL SALICYLATE [II], METHYL SALICYLATE [MI], CHEMBL108545, GTPL2431, Methyl salicylate (JP18/NF), orb1310649, orb3140647, SCHEMBL1978589, SCHEMBL3334103, SCHEMBL7406380, SCHEMBL7471896, METHYL SALICYLATE [FCC], METHYL SALICYLATE [FHFI], METHYL SALICYLATE [HSDB], SCHEMBL10368435, SCHEMBL29370254, FEMA 2745, HY-Y0189R, METHYL SALICYLATE [VANDF], NSC8204, METHYL SALICYLATE [MART.], 2,4-Cyclohexadien-1-one,6-(hydroxymethoxymethylene)-(9CI), HMS1398J05, HMS2089H12, HMS3885C04, HMS5082G09, METHYL SALICYLATE [USP-RS], METHYL SALICYLATE [WHO-DD], CS-B1799, HY-Y0189, Methyl salicylate EP / USP / NF, Methyl ester 2-hydroxy-benzoic acid, Tox21_111081, Tox21_201543, Tox21_300137, BBL010504, EBC-12859, MSK014058, s3756, SBB053705, STK397388, Methyl salicylate, analytical standard, AKOS000118977, CCG-266225, DB09543, FM02407, Methyl ester of 2-hydroxy-benzoic acid, METHYL SALICYLATE [EP IMPURITY], METHYL SALICYLATE [ORANGE BOOK], METHYL SALICYLATE [EP MONOGRAPH], Methyl salicylate, >=98%, FCC, FG, MSK014058-1000A, NCGC00091106-01, NCGC00091106-03, NCGC00091106-04, NCGC00091106-05, NCGC00254104-01, NCGC00259093-01, AC-11584, SY008800, TS-02010, METHYL SALICYLATE,SYNTHETIC [VANDF], DB-012808, DB-209477, Methyl salicylate, natural, 98%, FCC, FG, NS00008765, ST50715363, EN300-15491, Methyl salicylate, puriss., 99.0-100.5%, D01087, D70335, Methyl salicylate, SAJ first grade, >=98.0%, Methyl salicylate, tested according to Ph.Eur., AB01275470-01, F066745, Methyl salicylate, ReagentPlus(R), >=99% (GC), Methyl salicylate, Vetec(TM) reagent grade, 99%, Q407669, SR-05000001473, SR-05000001473-1, BRD-K10103010-001-01-1, Methyl salicylate Solution in Acetonitrile, 1000ug/mL, Z19703590, F0001-0306, InChI=1/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H, Methyl salicylate, United States Pharmacopeia (USP) Reference Standard, Methyl salicylate, Pharmaceutical Secondary Standard; Certified Reference Material, 9041-28-5
Theoretical properties:
molecular_formula: C8H8O3
molecular_weight: 152.15 g/mol
exact_mass: 152.047344113 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 11
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: COLORLESS, YELLOWISH OR REDDISH, OILY LIQ
color: COLORLESS, YELLOWISH OR REDDISH, OILY LIQ
odor: LIQUID HAVING THE CHARACTERISTIC ODOR OF WINTERGREEN
boiling_point: 432 °F at 760 mmHg (NTP, 1992)
melting_point: 16.5 °F (NTP, 1992)
density: 1.174 (USCG, 1999) - Denser than water; will sink
solubility: less than 1 mg/mL at 66 °F (NTP, 1992)
flash_point: 205 °F (NTP, 1992)
vapor_pressure: 0.0975 mmHg at 68 °F ; 1 mmHg at 129 °F (NTP, 1992)
Descriptions:
pubchem: 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.
chebi: A benzoate ester that is the methyl ester of salicylic acid.
chembl: METHYL SALICYLATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Methyl salicylate (oil of wintergreen or wintergreen oil) is an organic compound with the formula C8H8O3.  It is the methyl ester of salicylic acid. It is a colorless, viscous liquid with a sweet, fruity odor reminiscent of root beer (in which it is used as a flavoring), but often associatively called "minty", as it is an ingredient in mint candies. It is produced by many species of plants, particularly wintergreens. It is also produced synthetically, used as a fragrance and as a flavoring agent.