Results for:
PubChem ID: 7519

Compound Details

Synonymous names
ANISOLE
Methoxybenzene
100-66-3
Methyl phenyl ether
Benzene, methoxy-
Anisol
Phenyl methyl ether
Phenoxymethane
Anizol
Phenol methyl ether
Ether, methyl phenyl
Benzene, methoxy
Methoxy-Benzene
HSDB 44
4-methoxybenzene
methylphenyl ether
FEMA No. 2097
FEMA Number 2097
NSC 7920
UNII-B3W693GAZH
EINECS 202-876-1
B3W693GAZH
CHEBI:16579
AI3-00042
Ether, methyl phenyl-
NSC-7920
DTXSID4041608
EC 202-876-1
MFCD00008354
ANISOLE (USP-RS)
ANISOLE [USP-RS]
UN2222
anisole-
4-methoxy benzene
Anethole,(S)
Methyl phenyl-Ether
Anisole, 8CI
Methoxy-Benzeneanisole
ANISOLE [FHFI]
ANISOLE [HSDB]
ANISOLE [FCC]
ANISOLE [MI]
Methoxy-benzene (anisol)
bmse010217
SCHEMBL1205
WLN: 1OR
Anisole, analytical standard
Anisole, anhydrous, 99.7%
SCHEMBL497674
FEMA NUMBER: 2097
CHEMBL278024
DTXCID2021608
SCHEMBL12015260
Anisole, ReagentPlus(R), 99%
DTXSID10938426
DTXSID80178670
NSC7920
CHEBI:192244
METHOXY-BENZENE (ANISOL)
Anisole, >=99%, FCC, FG
AMY38503
BDBM50386177
STL263485
AKOS000120161
CCG-266043
MCULE-2691526560
UN 2222
Anisole [UN2222] [Flammable liquid]
LS-13275
DB-003588
A0492
NS00003297
EN300-16114
C01403
M03556
Q312244
J-000194
Z53833865
F1908-0172
Anisole, United States Pharmacopeia (USP) Reference Standard
InChI=1/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H
Anisole, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC nameanisole
SMILESCOC1=CC=CC=C1
InchiInChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
FormulaC7H8O
PubChem ID7519
Molweight108.14
LogP2.1
Atoms8
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids ethers aromatic compounds
CHEBI-ID16579
Supernatural-IDSN0322472

mVOC Specific Details

Boiling Point
DegreeReference
155.5 °C peer reviewed
Volatilization
The Henry's Law constant for anisole estimated to be 4.35X10-3 atm-cu-m/mol(SRC) using a fragment constant estimation method(1). This value indicates that anisole will volatilize rapidly from water(2,SRC). Using this value for the Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing at 1 m/s with a wind speed of 3 m/s) is estimated as 3.2 hr(2,SRC). Similarly, the volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind volocity of 0.5 m/sec) is estimated as 4.2 days(2,SRC). Anisole's moderate vapor pressure, 3.5 mm Hg at 25 deg C(3), low adsorptivity to soil, and high Henry's Law constant(1,SRC) indicate that volatilization from dry and moist soil may occur(SRC).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 15, 16 (1982) (3) Ambrose D et al; J Chem Therm 8: 165-78 (1976) (4) Bahnick DA, Doucette WJ; Chemosphere 17: 1703-15 (1988)
Soil Adsorption
An experimental Koc of 35 has been reported for anisole(1). Using an estimation method based on molecular connectivity indices(2), the Koc for anisole is estimated to be 118(SRC). According to a suggested classification scheme(3), these Koc values respectively suggest that anisole would be very highly mobile and highly mobile in soil and would readily leach(SRC).
Literature: (1) Bahnick DA, Doucette WJ; Chemosphere 17: 1703-15 (1988) (2) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.472 kPa (3.54 mm Hg) @ 25 deg CAmbrose D et al; J Chem Therm 8: 165-78 (1976)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium Aviumclinical isolate,blood,AIDS patientMellors et al. 2017
ProkaryotaMycobacterium Bovisclinical isolate,abscess,bladder cancerMellors et al. 2017
ProkaryotaMycobacterium Xenopiclinical isolate,sputum,AIDS patientMellors et al. 2017
ProkaryotaMycobacterium Intracellulareclinical isolate,sputum,AIDS patientMellors et al. 2017
ProkaryotaBacillus SubtilisNAGao et al. 2018
ProkaryotaChondromyces Crocatusn/aNASchulz et al. 2004
EukaryotaAspergillus VersicolorNASunesson et al. 1995
ProkaryotaChondromyces Crocatusn/aNASchulz and Dickschat 2007
EukaryotaTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Melanosporumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaAspergillus Versicolornadamp indoor environments, food productsSunesson et al. 1995
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaAspergillus Candiduscompost Fischer et al. 1999
EukaryotaAspergillus Versicolorcompost Fischer et al. 1999
ProkaryotaSerratia Sp.NANAAlmeida et al. 2022
Lentinula EdodesGeng et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Avium7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaMycobacterium Bovis7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaMycobacterium Xenopi7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaMycobacterium Intracellulare7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaBacillus SubtilisLuria-Bertani (LB) agarHS / SPME / GC-MSno
ProkaryotaChondromyces Crocatusn/an/ano
EukaryotaAspergillus Versicolorno
EukaryotaTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Melanosporumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaAspergillus VersicolorDG18GC/MSno
EukaryotaTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
EukaryotaAspergillus Candidusyest extract sucroseTenax/GC-MSno
EukaryotaAspergillus Versicoloryest extract sucroseTenax/GC-MSno
ProkaryotaSerratia Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
Lentinula EdodesJiuqu (traditional wheat Qu)GC-IMSno