Results for:
PubChem ID: 4133

Methyl 2-hydroxybenzoate

Mass-Spectra

Compound Details

Synonymous names
methyl salicylate
Methyl 2-hydroxybenzoate
119-36-8
Analgit
2-Carbomethoxyphenol
Gaultheriaoel
Wintergruenoel
Flucarmit
Exagien
2-Hydroxybenzoic acid methyl ester
Methyl o-hydroxybenzoate
Betula
2-(Methoxycarbonyl)phenol
methylsalicylate
Betula Lenta
Salicylic acid, methyl ester
Benzoic acid, 2-hydroxy-, methyl ester
FEMA No. 2745
68917-75-9
PredaLure
Caswell No. 577
Oils,wintergreen
Anthrapole ND
Methyl2-Hydroxybenzoate
NSC 8204
o-Hydroxybenzoic acid, methyl ester
FEMA Number 2745
Flavor,wintergreen
Ben Gay
Methyl-d3 salicylate-OD
Salicylic Acid Methyl Ester
Metylester kyseliny salicylove
MFCD00002214
CCRIS 6259
90045-28-6
HSDB 1935
NSC-8204
2-Hydroxybenzoic acid, methyl ester
EINECS 204-317-7
Methyl salicylate
UNII-LAV5U5022Y
MethylSalicylate-d3
EPA Pesticide Chemical Code 076601
BRN 0971516
FEMA No. 2154
FEMA No. 3113
1-O-methylsalicylate
LAV5U5022Y
DTXSID5025659
CHEBI:31832
AI3-00090
salicylate methyl ester
2-Hydroxy-benzoic acid methyl ester
68917-50-0
Methyl salicylate,synthetic
Methyl 2-Hydroxybenzoate--d4
DTXCID805659
EC 204-317-7
302912-49-8
4-10-00-00143 (Beilstein Handbook Reference)
135952-76-0
8024-54-2
NCGC00091106-02
SALONPAS COMPONENT METHYL SALICYLATE
METHYL SALICYLATE COMPONENT OF SALONPAS
METHYL SALICYLATE (II)
METHYL SALICYLATE [II]
METHYL SALICYLATE (MART.)
METHYL SALICYLATE [MART.]
Panalgesic
Theragesic
2,4-Cyclohexadien-1-one,6-(hydroxymethoxymethylene)-(9CI)
METHYL SALICYLATE (USP-RS)
METHYL SALICYLATE [USP-RS]
Methyl salicylate [JAN]
METHYL SALICYLATE (EP IMPURITY)
METHYL SALICYLATE [EP IMPURITY]
METHYL SALICYLATE (EP MONOGRAPH)
Methyl salicylate (natural)
METHYL SALICYLATE [EP MONOGRAPH]
CAS-119-36-8
1335435-40-9
Benzoic acid, hydroxy-, methyl ester
Metylester kyseliny salicylove [Czech]
Methylester kyseliny salicylove [Czech]
Wintergreen
Methyl salicylate [JAN:NF]
Milagroso
Ubredol
Kofal
Methylester kyseliny salicylove
Kofal Original
Kofal Fuerte
methyl-salicylate
Zenol Cool
Bumooly-S
Methylis salicylas
Ted s Pain
Hyundai Moolpas F
FlexSport Roll On
La Flecha Japonesa
Germa Ubre Mastitis
Ling Nam Hung Far
Koong Yick Hung Fa
Mascura la Vaca Plus
Natralia Cramp Relief
Aspi-RubPain Reliever
ReLeaf Arthritis Balm
Salonpas (Salt/Mix)
Methyl Salicylate 2%
XCEPTOR PAIN
Balsamo de UbreMascura
teds topical pain cream
Methyl Salicylate,(S)
Theragesic (Salt/Mix)
wintergreen leaf extract
Balsamo de Vaca Mascura
Methyl salicylate (TN)
Methyl Salicylate 10%
Methyl salicylate, 8CI
methyl-2-hydroxybenzoate
East Coast Joint Relief
Enamine_001611
Methyl salicylate, 98%
KRONA WART REMOVER
Abejas y Viboras Roll On
Germa Linimento Ubre Plus
Methyl salicylate, BioXtra
salicylic-acid methyl ester
WLN: QR BVO1
COATS ALOE ANALGESIC
WINTERGREEN [VANDF]
SCHEMBL5312
Methyl salicylate 100 microg/mL in Acetonitrile
Dermaline 3 in 1 Roll On
BIDD:ER0323
XCEPTOR CBD PAINMENTHOL
HYSAN HUA TUO MEDICATED
METHYL SALICYLATE [MI]
METHYL SALICYLATE, ALOE
CHEMBL108545
GTPL2431
Herb Street Sore Muscle Relief
Methyl salicylate (JP17/NF)
METHYL SALICYLATE [FCC]
Germa Manteca Ubre Plus (RED)
Germa Manteca Ubre Plus (TIN)
METHYL SALICYLATE [FHFI]
METHYL SALICYLATE [HSDB]
METHYL SALICYLATE [INCI]
FEMA 2745
METHYL SALICYLATE [VANDF]
NSC8204
HMS1398J05
HMS2089H12
HMS3885C04
O-hydroxybenzoic acid methyl ester
METHYL SALICYLATE [WHO-DD]
BCP29151
CS-B1799
Flexitol Foot and Knee Pain Relief
Germa Manteca Ubre Plus (YELLOW)
HY-Y0189
Methyl ester 2-hydroxy-benzoic acid
Tox21_111081
Tox21_201543
Tox21_300137
BBL010504
s3756
STK397388
Germa Linimento Ubre Plus (Roll-On)
Methyl salicylate, analytical standard
AKOS000118977
Neuro Max Pain and Muscle Relief Gel
Veneno de AbejaAceite De Vibora Brand
CCG-266225
DB09543
MCULE-5398249325
Methyl ester of 2-hydroxy-benzoic acid
METHYL SALICYLATE [ORANGE BOOK]
foot worksarthritis achy foot and muscle
Methyl salicylate, >=98%, FCC, FG
NCGC00091106-01
NCGC00091106-03
NCGC00091106-04
NCGC00091106-05
NCGC00254104-01
NCGC00259093-01
SUNSET PAIN RELIEF-HEATING RELIEF
AC-11584
SY008800
TS-02010
METHYL SALICYLATE,SYNTHETIC [VANDF]
DB-012808
DB-209477
Methyl salicylate, natural, 98%, FCC, FG
NS00008765
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
A804265
Methyl salicylate, ReagentPlus(R), >=99% (GC)
Methyl salicylate, Vetec(TM) reagent grade, 99%
Q407669
SR-05000001473
Q-100939
SR-05000001473-1
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
Microorganism:

Yes

IUPAC namemethyl 2-hydroxybenzoate
SMILESCOC(=O)C1=CC=CC=C1O
InchiInChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
FormulaC8H8O3
PubChem ID4133
Molweight152.15
LogP2.3
Atoms11
Bonds2
H-bond Acceptor3
H-bond Donor1
Chemical Classificationbenzenoids phenols esters aromatic compounds
CHEBI-ID31832
Supernatural-IDSN0274405

mVOC Specific Details

Boiling Point
DegreeReference
220 °C peer reviewed
Volatilization
The Henry's Law constant for methyl salicylate is 9.3X10-7 atm-cu-m/mol(SRC) calculated from its vapor pressure, 0.0343 mm Hg(1), and water solubility, 7400 mg/L(2). Using this value for the Henry's Law constant, one can estimate a volatilization half-life of 49 days in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s(3). Similarly, the volatilization half-life of methyl salicylate from a model lake 1 m deep, with a 0.05 m/s current and a 0.5 m/s wind is estimated to be 359 days. Methyl salicylate sprayed onto air-dried soil volatilizes rapidly(4). The amount of chemical that is adsorbed to the soil, evaporates more slowly by a diffusion-controlled mechanism(4).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Riddick JA et al; Organic Solvents 4th ed; NY, NY: Wiley (1986) (3) Lyman WJ et al (eds); Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 15 (1982) (4) Reichman R et al; Soil Sci 148: 191-8 (1989)
Soil Adsorption
The Koc for methyl salicylate estimated from molecular structure is 128(1) and is 33(3,SRC) estimated from its water solubility, 7400 mg/L(2), using a regression equation. According to a suggested classification scheme(4), these low Koc values suggest that methyl salicylate would be highly or very highly mobile in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (2) Riddick JA et al; Organic Solvents 4th ed; NY, NY: Wiley (1986) (3) Lyman WJ et al ; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 4 (1982) (4) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
Vapor pressure = 0.0343 mm Hg @ 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStenotrophomonas Maltophiliaantifungal activity against Colletotrichum nymphaeaeisolated from the healthy strawberry leaf in Kamyaran, Kurdistan provinceAlijani et al. 2020
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
ProkaryotaStigmatella Aurantiacan/aNASchulz and Dickschat 2007
EukaryotaPhellinus Sp.n/aNAStotzky and Schenck 1976
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
ProkaryotaStigmatella Aurantiacan/aNADickschat et al. 2005_5
ProkaryotaCollimonas Pratensisn/aNAGarbeva et al. 2014
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStenotrophomonas MaltophiliaNA mediaGC-MSno
ProkaryotaChondromyces Crocatusn/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
EukaryotaPhellinus Sp.n/an/ano
ProkaryotaCollimonas PratensisHeadspace trapping/GC-MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno