Results for:
PubChem ID: 7519

Compound Details

Synonymous names
Methoxybenzene
Phenoxymethane
Anisole Methoxybenzene
Methoxy-Benzeneanisole
methylphenyl ether
RDOXTESZEPMUJZ-UHFFFAOYSA-N
Anisloe
Anisol
ANISOLE
Anizol
Methoxy-Benzene
4-methoxybenzene
Anisole, analytical standard
Methyl phenyl ether
Phenol methyl ether
Phenyl methyl ether
AC1Q4EAV
AC1Q4FFF
Benzene, methoxy
4-methoxy benzene
4-methoxy-benzene
AC1L1OY1
Ether, methyl phenyl
B3W693GAZH
Benzene, methoxy-
SCHEMBL1205
Anisole, pharmaceutical secondary standard; traceable to USP
HSDB 44
I767
KSC176C8R
ACMC-1C6S9
CE0043
NSC7920
PubChem12830
UN2222
UNII-B3W693GAZH
A0492
AQUALINE STANDARD 1.0
CTK0H6188
Ether, methyl phenyl-
WLN: 1OR
AS04310
CHEMBL278024
RP18892
SCHEMBL497674
bmse010217
C01403
EpiMediuM BreviconuM P.E.(Icariin)
FEMA 2097
LTBB002265
M03556
METHOXY-BENZENE (ANISOL)
ZINC897131
Anisole, United States Pharmacopeia (USP) Reference Standard
DTXSID4041608
FEMA Number 2097
LS-2563
NSC 7920
NSC-7920
OR025028
OR192800
OR192801
STL263485
UN 2222
ZB015123
CHEBI:16579
AN-24560
ANW-14338
CJ-04502
LABOTEST-BB LTBB002265
SC-25797
SCHEMBL12015260
TRA0007442
BDBM50386177
MFCD00008354
ZINC00897131
AI3-00042
DB-003588
RTR-032978
TR-032978
AKOS000120161
I01-1977
J-000194
ZINC329788065
ZINC329788108
FEMA No. 2097
FT-0628309
FT-0652964
Anisole, anhydrous, 99.7%
Anisole, ReagentPlus(R), 99%
100-66-3
F1908-0172
Anisole, >=99%, FCC, FG
Anisole, 99% 500g
MCULE-2691526560
EINECS 202-876-1
Anisole [UN2222] [Flammable liquid]
EC 202-876-1
MolPort-000-219-450
Anisole [UN2222] [Flammable liquid]
14387-EP2272822A1
14387-EP2316836A1
19606-EP2269986A1
19606-EP2269995A1
19606-EP2270000A1
19606-EP2272517A1
19606-EP2272822A1
19606-EP2272832A1
19606-EP2275411A2
19606-EP2281818A1
19606-EP2281821A1
19606-EP2284148A1
19606-EP2284165A1
19606-EP2284169A1
19606-EP2287141A1
19606-EP2287161A1
19606-EP2287162A1
19606-EP2289894A2
19606-EP2289897A1
19606-EP2289965A1
19606-EP2292592A1
19606-EP2292593A2
19606-EP2292624A1
19606-EP2298767A1
19606-EP2298768A1
19606-EP2298770A1
19606-EP2298778A1
19606-EP2298828A1
19606-EP2301924A1
19606-EP2301933A1
19606-EP2301937A1
19606-EP2301983A1
19606-EP2305250A1
19606-EP2305667A2
19606-EP2305685A1
19606-EP2305686A1
19606-EP2308510A1
19606-EP2308562A2
19606-EP2308833A2
19606-EP2308857A1
19606-EP2308867A2
19606-EP2308870A2
19606-EP2308880A1
19606-EP2308926A1
19606-EP2308960A1
19606-EP2309564A1
19606-EP2311827A1
19606-EP2314558A1
19606-EP2314576A1
19606-EP2314587A1
19606-EP2314590A1
19606-EP2314591A1
37374-EP2311802A1
37374-EP2311803A1
56738-EP2277868A1
56738-EP2277869A1
56738-EP2277870A1
56738-EP2292608A1
56738-EP2295422A2
56738-EP2298305A1
56738-EP2298746A1
56738-EP2298769A1
56738-EP2308878A2
56738-EP2371806A1
56738-EP2371807A1
56738-EP2380568A1
187286-EP2272849A1
InChI=1/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H
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
LogP1.82
Atoms16
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBenzenoids Ethers

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
Fungi Aspergillus VersicolorSunesson et al. 1995
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
FungiTuber Brumalen/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Melanosporumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al., 2004
FungiAspergillus Candiduscompost Fischer et al. 2012
FungiAspergillus Vesicolorcompost Fischer et al. 2012
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatus Cm C2n/an/a
Fungi Aspergillus Versicolorno
BacteriaChondromyces Crocatusn/an/a
FungiAspergillus Versicolor TiraboschiDG18GC/MS
FungiTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiAspergillus Candidusyest extract sucroseTenax/GC-MSno
FungiAspergillus Vesicoloryest extract sucroseTenax/GC-MSno
FungiTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS