Results for:
chemical Classification: ethers

1-methoxy-2-phenylbenzene

Mass-Spectra

Compound Details

Synonymous names
NLWCWEGVNJVLAX-UHFFFAOYSA-
NLWCWEGVNJVLAX-UHFFFAOYSA-N
o-Methoxybiphenyl
o-Phenylanisole
Methyl diphenyl ether
2-Methoxybiphenyl
o-METHOXY DIPHENYL
2-phenylanisol
2-Phenylanisole
AC1L1NEP
2-Methoxy-biphenylate
2-Hydroxybiphenyl methyl ether
o-Phenyl anisole
2-METHOXY BIPHENYL
2-Phenyl-anisol
ACMC-1CR1Y
1-methoxy-2-phenylbenzene
2-methoxy-1-phenylbenzene
6109AF
NSC2148
CTK1A2327
M1713
methoxy-1,1'-biphenyl
Biphenyl-2-yl methyl ether
SCHEMBL294721
ACT07823
Anisole, o-phenyl-
1-methoxy-2-phenyl-benzene
DTXSID6052584
OR022092
CHEMBL3813993
WLN: 1OR BR
NSC 2148
NSC-2148
AK310744
OR145906
OR145905
OR145904
ZINC1577178
EBD3321288
SCHEMBL12015268
AC-12225
AN-24099
ANW-38294
CC-11223
LS-20219
CJ-25020
FCH1114362
KB-68939
2-Methoxy-1,1'-biphenyl
ZINC01577178
MFCD00008367
C-31404
AI3-00236
TC-127039
ST50406419
AKOS015960814
1,1'-Biphenyl, methoxy-
BRN 2045749
ACM292625979
86-26-0
2-Methoxy-1,1'-biphenyl #
3B1-008603
1,1'-Biphenyl, 2-methoxy-
EINECS 201-659-9
26445-85-2
292625-97-9
4-06-00-04580 (Beilstein Handbook Reference)
InChI=1/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3
Microorganism:

Yes

IUPAC name1-methoxy-2-phenylbenzene
SMILESCOC1=CC=CC=C1C2=CC=CC=C2
InchiInChI=1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3
FormulaC13H12O
PubChem ID6835
Molweight184.238
LogP3.46
Atoms26
Bonds27
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBenzenoids Ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaMycobacterium Tuberculosisn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Syhre et al., 2008
BacteriaStigmatella Aurantiaca DW4/3-1n/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Dickschat et al., 2005_5
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaMycobacterium TuberculosisLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS
BacteriaStigmatella Aurantiaca DW4/3-1Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS


2-methoxy-4-methylphenol

Mass-Spectra

Compound Details

Synonymous names
Homoguaiacol
Homocatechol monomethyl ether
Valspice
PETRWTHZSKVLRE-UHFFFAOYSA-N
Rohkcrsol
Creosol
Kreosol
p-Methylguaiacol
Cresolum drudum
4-Methylguaiacol
p-Creosol
W9GW1KZG6N
4-Methyl guaiacol
Nature 4-Methyl guaiacol
AC1Q46AW
AC1L1O3Y
UNII-W9GW1KZG6N
4-Hydroxy-3-methoxytoluene
3-Methoxy-4-hydroxytoluene
R585
Kreosol [German]
2-Hydroxy-5-methylanisole
KSC495C3R
4-Methyl-2-methoxyphenol
2-Methoxy-p-cresol
SCHEMBL92236
2-METHOXY-4-METHYLPHENOL
NSC4969
CTK3J5138
M0114
ACMC-209rm9
2-Methoxy-4-methylphenol, analytical standard
2-Methoxy-4-cresol
NSC 4969
CHEMBL3182715
NSC-4969
OR000832
SBB008258
2-methoxy-4-methyl-phenol
2-methoxy-4-methyl phenol
DTXSID6047105
FR-1124
M-5048
ZINC3875629
CHEBI:89886
AK-75601
1-Hydroxy-2-methoxy-4-methylbenzene
2-2-Methoxy-4-methylphenol
ST2410076
SC-15288
4-Hydroxy-3-methoxy-1-methylbenzene
AJ-46447
AN-24263
ANW-40063
LS-55413
CJ-11016
KB-24889
DSSTox_GSID_47105
DSSTox_CID_27105
DSSTox_RID_82115
MFCD00002378
ZINC03875629
RTR-029283
TR-029283
Phenol, 4-methyl-2-methoxy
p-Cresol, 2-methoxy-
ST50828305
AI3-15891
2-Methoxy-4-methylphenol (Methyl guaiacol)
I01-2278
Q-100894
AKOS000120520
FEMA No. 2671
FT-0612795
2-Methoxy-4-methylphenol, >=98%
BRN 1862340
93-51-6
Phenol, 3-methoxy-4-methyl-
Tox21_302681
Phenol, 2-methoxy-4-methyl-
AZ0001-0503
F0001-2237
CAS-93-51-6
NCGC00256731-01
MCULE-1126785638
EINECS 202-252-9
2-Methoxy-4-methylphenol, >=98%, FG
MolPort-001-770-303
2-Methoxy-4-methylphenol, natural, 97%, FG
InChI=1/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H
Microorganism:

Yes

IUPAC name2-methoxy-4-methylphenol
SMILESCC1=CC(=C(C=C1)O)OC
InchiInChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3
FormulaC8H10O2
PubChem ID7144
Molweight138.166
LogP2.03
Atoms20
Bonds20
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationBenzenoids Alcohols Ethers

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a


1-(4-methoxyphenyl)ethanone

Mass-Spectra

Compound Details

Synonymous names
paramethoxyacetophenone
para-Methoxyacetophenone
p-Methoxyacetophenone
Acetanisole
p-Metoxyacetophenone
4'-Methoxyacetophenone
Castoreum anisole
Linarodin
Novatone
NTPLXRHDUXRPNE-UHFFFAOYSA-N
Vananote
4-Methoxyacetophenone
P-ACETYLANISOLE
para-Acetanisole
4-Methoxyacetofenon
p -methoxyacetophenone
p-methoxy acetophenone
4'-Methoxyacetophenone, analytical standard
Methyl p-methoxyphenyl ketone
p-methoxy-acetophenon
p-Methoxyphenyl methyl ketone
4-Acetoanisole
4-Acetylanisole
4'-methoxy-acetophenone
4 -methoxyacetophenone
AC1L1OUJ
AC1Q4FEC
4-Acetylanisole; pAcetanisole
4-Methoxyphenyl methyl ketone
ACMC-1BOII
Methyl 4-methoxyphenyl ketone
PubChem3324
1-acetyl-4-methoxybenzene
Acetophenone, p-methoxy-
KSC174K9F
4-Methoxyacetofenon [Czech]
NSC5601
SCHEMBL41285
0IRH2BR587
4'-Methoxyacetophenone, 99%
Acetophenone, 4'-methoxy-
CTK0H4592
M0105
CHEMBL401912
NE10606
STR00157
1-(4-Methoxyphenyl)ethanone
bmse010024
HSDB 8319
UNII-0IRH2BR587
ZINC157405
AK405360
AN-1726
DTXSID2044347
Jsp000055
LS-2536
NSC-5601
NSC209523
OR025114
OR142282
OR142283
OR328325
PS-3395
SBB040242
STK498196
ZB006676
CHEBI:86567
1-(4-Methoxyphenyl)ethanone #
AB1003998
AC-10916
ANW-14150
CJ-01651
DSSTox_GSID_44347
KB-72664
SC-00003
SCHEMBL12015229
TL8002708
WLN: 1VR DO1
1-(4-methoxy-phenyl)ethanone
1-(4-methoxyphenyl) ethanone
1-(4-methoxyphenyl)-ethanone
BB_SC-6578
BDBM50376209
DSSTox_CID_24347
DSSTox_RID_80160
MFCD00008745
ZINC00157405
AI3-00227
Anisyl, p-, methyl ketone
DB-003499
KB-204522
NSC 209523
NSC-209523
RTR-033388
ST50213402
TL80073731
TR-033388
AKOS000119536
I01-6583
W-108978
Z53832960
1-[4-(methyloxy)phenyl]ethanone
BB 0258870
FEMA No. 2005
FT-0618906
FT-0650756
1-(4-Methoxy-phenyl)-ethanone
Acetanisole, >=98%, FCC, FG
Tox21_300687
1-(4-methoxyphenyl)-1-ethanone
1-(4-methoxyphenyl)ethan-1-one
100-06-1
F0001-0007
4'-Methoxyacetophenone, 99% 250g
Ethanone, 1-(4-methoxyphenyl)-
MCULE-1570220566
NCGC00188270-01
NCGC00188270-02
NCGC00254595-01
CAS-100-06-1
EINECS 202-815-9
EC 202-815-9
MolPort-000-831-720
4'-Methoxyacetophenone, purum, >=99.0% (GC)
AB-131/40174083
ETHYL, 2-(4-METHOXYPHENYL)-2-OXO-
InChI=1/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H
Microorganism:

Yes

IUPAC name1-(4-methoxyphenyl)ethanone
SMILESCC(=O)C1=CC=C(C=C1)OC
InchiInChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
FormulaC9H10O2
PubChem ID7476
Molweight150.177
LogP1.37
Atoms21
Bonds21
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationBenzenoids Ethers Ketones

mVOC Specific Details

Boiling Point
DegreeReference
254 deg CHaynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-6
Volatilization
The Henry's Law constant for 4-acetylanisole is estimated as 8.9X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-acetylanisole is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 42 days(SRC). 4-Acetylanisole's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Acetylanisole is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.44X10-3 mm Hg at 25 deg C(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Jones AH; J Chem Eng Data 5: 196-200 (1960)
Solubility
In water, 3.62X10+3 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 7, 2016: http://www2.epa.gov/tsca-screening-tools
Literature: #Soluble in ethanol, diethyl ether, acetone and chloroform
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-6
Literature: #Soluble in alcohol, ether, fixed oils
Literature: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 888
Literature: #Soluble in fixed oils, propylene glycol; miscible with glycerin
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. V4: 2881
Soil Adsorption
A log Koc of 2.43 for 4-acetylanisole was measured in a black agricultural soil (silty loam, pH 5.86, 27.2% clay content, 4.78% soil organic matter, 4.01% water content) obtained from Northeastern China(1). This corresponds to a Koc of 270(SRC). According to a classification scheme(2), this Koc value suggests that 4-acetylanisole is expected to have moderate mobility in soil.
Literature: (1) Ding Y, Wang L; Toxicol Environ Chem 78: 1-9 (2000) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
6.44X10-3 mm Hg at 25 deg CJones AH; J Chem Eng Data 5: 196-200 (1960)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aDickschat et al., 2005_6
BacteriaChondromyces Crocatus Cm C5n/aDickschat et al., 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a


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


Methyl 4-methoxybenzoate

Mass-Spectra

Compound Details

Synonymous names
DDIZAANNODHTRB-UHFFFAOYSA-N
methyl4-methoxybenzoate
Methyl p-methoxybenzoate
Methyl anisate
METHYL 4-METHOXYBENZOATE
4-methoxy methylbenzoate
METHYL PARA-ANISATE
Methyl p-anisate
methyl P-methoxy benzoate
Methyl-p-anisate
Methyl-p-Methoxy Benzoate
p-Methoxybenzoic acid methyl ester
ANISIC ACID METHYL ESTER
4-Methoxybenzoic acid methyl
4-(Methoxycarbonyl)anisole
Methyl 4-Anisate
AC1L1R4M
Methyl ester of p-Methoxybenzoic acid
4-Methoxybenzoic acid methyl ester
p-Anisic acid methyl ester
KSC119E6R
NSC7324
ACMC-209ajc
ZINC87933
4-methoxy-benzoic acid methyl ester
SCHEMBL231243
AS02499
ARONIS011593
RP22885
p-Anisic acid, methyl ester
2MFL7873W9
FEMA 2679
bmse010016
AN-9346
NSC 7324
ZB003141
DTXSID7047645
NSC-7324
OR011231
OR209324
SY003911
STK041805
AC-7084
CHEMBL1762668
SBB058204
LS-2900
M-5922
CHEBI:86903
UNII-2MFL7873W9
WLN: 1OVR DO1
SC-24120
KB-54413
AJ-10791
BR-46595
ST2413419
AK-46595
CJ-00703
Methyl p-anisate, 99%
DSSTox_GSID_47645
ANW-17926
DSSTox_CID_27645
RARECHEM AL BF 0083
MFCD00008437
ZINC00087933
BDBM50340087
DSSTox_RID_82472
TR-003554
DB-012814
AM20050128
RTR-003554
ST45048310
AI3-00229
AKOS000501135
I01-8152
W-108443
BRN 2208571
Benzoic acid, p-methoxy-, methyl ester
FT-0628647
FEMA No. 2679
LABOTEST-BB LT00782008
Tox21_302682
Methyl p-anisate, >=99%, FG
F1335-0002
Benzoic acid, 4-methoxy-, methyl ester
121-98-2
MCULE-7764530900
Methyl p-anisate, >=99% (capillary GC)
NCGC00256751-01
CAS-121-98-2
EINECS 204-513-2
MolPort-000-690-489
AQ-917/40232598
InChI=1/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H
Microorganism:

Yes

IUPAC namemethyl 4-methoxybenzoate
SMILESCOC1=CC=C(C=C1)C(=O)OC
InchiInChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
FormulaC9H10O3
PubChem ID8499
Molweight166.176
LogP1.82
Atoms22
Bonds22
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationBenzenoids Esters Ethers

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Schulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Dickschat et al., 2005_6
BacteriaChondromyces Crocatus Cm C5n/aDickschat et al., 2005_6
BacteriaMycobacterium Tuberculosisn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Syhre et al., 2008
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al., 2000
FungiLentinellus CochleatusRapior et al. 2002
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces CrocatusLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS
BacteriaChondromyces Crocatus Cm C2Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS
BacteriaChondromyces Crocatus Cm C5Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS
BacteriaMycobacterium TuberculosisLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MS
FungiPiptoporus BetulinusnaGC/MSNo
FungiTrametes SuaveolensnaGC/MSNo
FungiLentinellus Cochleatushydro-destillation, solvent extraction, GC-MSno


1-methoxy-4-prop-2-enylbenzene

Mass-Spectra

Compound Details

Synonymous names
Methylchavicol
p-Allylmethoxybenzene
p-Methoxyallylbenzene
chavicol methylether
chavicyl methylether
Isoanethole
Esdragol
Esdragole
Esdragon
Esteragol
Estragol
Estragole
para-allylanisole
Tarragon
Terragon
ZFMSMUAANRJZFM-UHFFFAOYSA-N
4-Allylmethoxybenzene
4-Methoxyallylbenzene
Methyl chavicol
Methyl chavicole
estragon;p-allylanisole
p-Allylanisole
Chavicol methyl ether
Chavicyl methyl ether
Estragole, analytical standard
4-Allylanisole
4-allylanisol
AC1Q4CFH
p-Allylphenyl methyl ether
4-Allylanisole, analytical standard
Chavicyl methyl ether
isoanethole, 4-Allylanisole
AC1L1RR7
AC1Q4FE9
Estragole (natural)
9NIW07V3ET
Chavicol, methyl-
Ether, p-allylphenyl methyl
O080
1-Allyl-4-methoxybenzene
4-Allyl-1-methoxybenzene
ACMC-1BW75
SCHEMBL57204
UNII-9NIW07V3ET
3-(p-Methoxyphenyl)propene
A0702
CTK7A3557
Allylphenyl methyl ether, p-
Chavicol, O-methyl-
CHEMBL470671
LS-821
Anisole, p-allyl-
C10452
CCRIS 1317
CHEBI:4867
DSSTox_CID_575
HMS2268E24
HSDB 5412
SPECTRUM1505117
ZINC967635
1-allyl-4-methoxy-benzene
AK109291
DTXSID0020575
FEMA Number 2411
NSC404113
OR023175
OR145974
OR218549
ZB015470
4-Allylanisole, 98%
NCI-C60946
AJ-24538
AN-17349
ANW-20580
DSSTox_GSID_20575
KB-36193
DSSTox_RID_75667
MFCD00008653
ZINC00967635
1-methoxy-4-prop-2-enylbenzene
AI3-16052
CCG-214642
NSC 404113
NSC-404113
ST50824126
TC-109325
WLN: 1U2R DO1
AKOS000121300
BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL
EPA Pesticide Chemical Code 062150
J-007415
4-Allylanisole, >=98%, FCC
BRN 1099454
FEMA No. 2411
FT-0617414
MLS001065575
p-allylanisole, 4-allyl-1-methoxybenzene, methyl chavicol
SMR000112379
I01-10181
1-METHOXY-4-(2-PROPENYL)BENZENE
Tox21_202387
Tox21_302930
140-67-0
3-(4-Methoxyphenyl)-1-propene
1407-27-8
NCGC00091434-01
NCGC00091434-02
NCGC00091434-03
NCGC00256481-01
NCGC00259936-01
1-methoxy-4-(2-propenyl)-benzene
CAS-140-67-0
EINECS 205-427-8
77525-18-9
Benzene, 1-methoxy, 4-prop-2-enyl
MolPort-000-156-967
1-Methoxy-4-(2-propen-1-yl)benzene
Benzene, 1-methoxy-4-(2-propenyl)-
1-methoxy-4-(prop-2-en-1-yl)benzene
4-Allylanisole, purum, >=97.0% (GC)
4-06-00-03817 (Beilstein Handbook Reference)
Benzene, 1-methoxy-4-(2-propen-1-yl)-
InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H
Microorganism:

Yes

IUPAC name1-methoxy-4-prop-2-enylbenzene
SMILESCOC1=CC=C(C=C1)CC=C
InchiInChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
FormulaC10H12O
PubChem ID8815
Molweight148.205
LogP2.91
Atoms23
Bonds23
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBenzenoids Alkenes Ethers

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiPenicillium Sp.n/aBjurman et al., 1997
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiPenicillium Sp.n/an/a
FungiGanoderma LucidumnaGC/MSNo


1,4-dimethoxybenzene

Mass-Spectra

Compound Details

Synonymous names
Dimethylether hydrochinonu
Dimethylhydroquinone ether
Dimethyl hydroquinone
Dimethylhydroquinone; Hydroquinone dimethyl ether
Dimethyl ether hydroquinone
HYDROQUINONE DIMETHYL ETHER
OHBQPCCCRFSCAX-UHFFFAOYSA-N
p-Dimethoxybenzene
p-Methoxyanisole
4-Methoxyanisole
Quinol dimethyl ether
Hydroquinone, dimethyl ether
Methyl p-methoxyphenyl ether
p-dimethoxy benzene
AC1Q4FES
Dimethylether hydrochinonu [Czech]
Methyl 4-methoxyphenyl ether
1,4-Dimethoxybenzene
AC1L1S4V
1,4-Dimethoxybenzol
SCHEMBL8489
4-Methoxyphenol, methyl ether
K896
KSC175M9L
1,4-Dimethoxybenzene, analytical standard
ACMC-1C1E3
NSC7483
USAF AN-9
1,4-dimethoxy benzene
1,4-dimethoxy-benzene
24WC6T6X0G
4-Methoxyanisole;Anisole, p-methoxy
BDBM36302
Benzene, p-dimethoxy-
BENZENE,1,4-DIMETHOXY
CTK0H5695
D0629
T7424
1,4-dimethoxy-benzen
Anisole, p-methoxy-
AS06962
LS-878
RP20443
STR02500
CCRIS 5920
HMS2270C23
HSDB 4259
UNII-24WC6T6X0G
ZINC388747
AK109309
BBL003611
CHEMBL1668604
DTXSID0022014
Jsp002876
NSC 7483
NSC-7483
OR034548
SBB060067
STK065405
ZB011683
2-Benzimidazolinone,3-bis(hydroxymethyl)-
Benzene,1,4-dimethoxy-
DSSTox_CID_2014
Hydroquinone dimethyl ether (1,4-Dimethoxybenzene)
USAF uctl-1791
AB1003116
AJ-20759
AN-23314
ANW-21298
DSSTox_GSID_22014
KB-10592
SCHEMBL12015220
ST2403009
TRA0083185
WLN: 1OR DO1
DSSTox_RID_76460
MFCD00008401
ZINC00388747
AI3-24139
DB-013768
RTR-033046
ST51046314
TL80073944
TR-033046
AKOS000119956
Benzene, 1,4-dimethoxy-
I14-7639
W-108072
Z53833835
FEMA No. 2386
FT-0606887
MLS002454408
SMR001252207
2-Benzimidazolinone, 1,3-bis(hydroxymethyl)
Tox21_201333
Tox21_302782
150-78-7
F1908-0181
MCULE-5232933383
NCGC00091220-01
NCGC00091220-02
NCGC00091220-03
NCGC00256564-01
NCGC00258885-01
WLN: T56 BNVNJ B1Q D1Q
1,4-Dimethoxybenzene, 99%, FG
CAS-150-78-7
EINECS 205-771-9
1,4-Dimethoxybenzene, ReagentPlus(R), 99%
MolPort-001-768-565
1,4-Dimethoxybenzene, Vetec(TM) reagent grade, 98%
HYDROQUINONE DIMETHYL ETHER (SEE ALSO: HYDROQUINONE MONOMETHYL ETHER (CAS 150-76-5))
InChI=1/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H
Microorganism:

Yes

IUPAC name1,4-dimethoxybenzene
SMILESCOC1=CC=C(C=C1)OC
InchiInChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
FormulaC8H10O2
PubChem ID9016
Molweight138.166
LogP1.66
Atoms20
Bonds20
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationBenzenoids Ethers

mVOC Specific Details

Volatilization
The Henry's Law constant for hydroquinone dimethyl ether is estimated as 3.5X10-3 atm-cu m/mole(1,SRC). This value indicates that hydroquinone dimethyl ether may volatilize from water surfaces(2,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec) is estimated as approximately 4 hours(2,SRC). The volatilization half-life from a model lake (1 m deep) is estimated as approximately 5 days(2,SRC).
Literature: (1) Meylan W, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods Washington, DC: Amer Chem Soc p. 15-1 to 15-29 (1990)
Soil Adsorption
Based on an experimental log Kow of 2.03(1), the Koc of hydroquinone dimethyl ether is estimated as approximately 300 using a regression-derived equation(2,SRC). According to a suggested classification scheme(3), this estimated Koc value suggests that hydroquinone dimethyl ether will have moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR: Hydrophobic, Electronic, and Steric Constants. ACS Profess Ref Book, Washington,DC: Amer Chem Soc (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
Vapor pressure: 8.7X10-2 mm Hg at 25 deg C(est)Lyman WJ; p 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE(eds), Boca Raton, FL: CRC Press, p 31 (1985)
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
FungiTuber BrumaleFortywoodland of the Basilicata regionMauriello et al., 2004
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
FungiTuber Brumalemicroextraction–gas chromatography–mass spectrometry analysis (SPME–GC–MS)No
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a


4-methoxybenzenethiol

Mass-Spectra

Compound Details

Synonymous names
para-Methoxybenzenethiol
4methoxybenzenethiol
p-Methoxybenzenethiol
4methoxythiophenol
p-methoxythiophenol
NIFAOMSJMGEFTQ-UHFFFAOYSA-
NIFAOMSJMGEFTQ-UHFFFAOYSA-N
4-Methoxybenzenethiol
4-methoxybenzenthiol
4-Methoxythiophenol
4-mercaptoanisol
4-Mercaptoanisole
p-Methoxy thiophenol
Thiophenol, polymer-bound
AC1Q4DRR
4-methoxybenzene thiol
4-Methoxy-benzenethiol
4-methoxy benzenethiol
4-methoxy-thiophenol
4-Methoxy thiophenol
4-(methyloxy)benzenethiol
PubChem6822
4-methoxy-benzene thiol
AC1L20B7
L743
BENZENETHIOL, p-METHOXY-
SCHEMBL50514
zlchem 292
ZLC0111
4-methoxy-1-benzenethiol
4-methoxybenzene-1-thiol
CTK2F4657
M1333
Benzenethiol, 4-methoxy-
4-Methoxythiophenol, 97%
STR00751
RP20623
ACMC-209oa9
LS11831
CHEMBL119636
Y11038
WLN: SHR DO1
CS-D1129
BBL027485
STL374080
AC-7112
AK307579
OR156325
OR000899
NSC100727
AN-9313
Y-9068
TRA0077569
TL8004895
SC-57930
DTXSID60219873
LS-32193
KB-39572
ANW-35743
AB0014863
MFCD00004849
ZINC19735099
BB_SC-6511
RTR-023167
DB-055318
NSC 100727
NSC-100727
TR-023167
AKOS005203301
W-104608
FT-0618859
BRN 1446910
EN300-11815
F0001-1809
696-63-9
MCULE-6085161431
Benzenethiol, 4-methoxy- (9CI)
EINECS 211-799-2
MolPort-000-146-883
4-Methoxythiophenol, purum, >=98.0% (GC)
InChI=1/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3
Microorganism:

Yes

IUPAC name4-methoxybenzenethiol
SMILESCOC1=CC=C(C=C1)S
InchiInChI=1S/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3
FormulaC7H8OS
PubChem ID12765
Molweight140.2
LogP1.91
Atoms17
Bonds17
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationBenzenoids Ethers Thiols sulfur compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a


2-ethenoxyethanol

Compound Details

Synonymous names
Vinyloxyethanol
Ethyleneglycol monovinyl ester
Ethylenglycol monovinyl ester
VUIWJRYTWUGOOF-UHFFFAOYSA-N
VUIWJRYTWUGOOF-UHFFFAOYSA-
Vinyl Cellosolve
Mveeg
Ethylene glycol monovinyl ether
Vinyl Glycol
2-Vinyloxyethanol
2-ethenoxyethanol
Ethylene glycol vinyl ether
2-Hydroxyethyl vinyl ether
Ethylenglycol monovinyl ester [Russian]
AC1L20SZ
AC1Q7D7T
34CNR2NAC8
2-(Ethenyloxy)ethanol
Ethylene Glycol Monovinyl Ether, stabilized with KOH
Mveeg [Russian]
KM1767
UNII-34CNR2NAC8
2-(Vinyloxy)ethanol
CTK3J3341
E0518
HSDB 7104
Ethylene glycol monovinyl ether (stabilized with KOH)
LP109558
DTXSID4075457
OR035234
AK162410
ZINC2031158
Ethylene glycol vinyl ether, 97%
A838710
ANW-43938
AB0012473
TRA0083549
TL8006670
SC-22660
AN-22129
LS-67100
CJ-07482
KB-51565
ZINC02031158
MFCD00192151
TR-024476
ST24039805
RTR-024476
2-(ethenyloxy)ethan-1-ol
W-104362
AKOS015904282
I14-6387
FT-0651609
BRN 1739297
I14-16845
Ethanol, 2-(ethenyloxy)-
ETHANOL, 2-(VINYLOXY)-
764-48-7
Ethylene glycol vinyl ether, 97% 10ml
EINECS 212-124-4
MolPort-001-789-883
55456-EP2308865A1
55456-EP2284165A1
Ethanol, 2-(ethenyloxy)- (9CI)
InChI=1/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2
Microorganism:

Yes

IUPAC name2-ethenoxyethanol
SMILESC=COCCO
InchiInChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2
FormulaC4H8O2
PubChem ID12995
Molweight88.106
LogP-0.06
Atoms14
Bonds13
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationAlcohols Ethers Alkenes

mVOC Specific Details

Boiling Point
DegreeReference
141.6 deg CLide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 83rd ed. Boca Raton, Fl: CRC Press Inc., 2002-2003., p. 3-159
Volatilization
The Henry's Law constant for ethylene glycol monovinyl ether is estimated as 2.5X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that ethylene glycol monovinyl ether is expected to be essentially nonvolatile from water surfaces(2). The potential for volatilization of ethylene glycol monovinyl ether from dry soil surfaces may exist(SRC) based upon an estimated vapor pressure of 2.2 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)
Solubility
Soluble in ethanol, ether, and benzene
Literature: Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 83rd ed. Boca Raton, Fl: CRC Press Inc., 2002-2003., p. 3-159
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for ethylene glycol monovinyl ether can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethylene glycol monovinyl ether is expected to have very high mobility in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaSerratia Sp.n/an/aBruce et al., 2004
FungiSaccharomyces Cerevisiaen/an/aBruce et al., 2004
BacteriaSerratia Spp.Bruce et al., 2004
FungiSaccharomyces CerevisiaeBruce et a.l, 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaSerratia Sp.tryptone soyaThe VOCs absorbed by the porous polymers were analysed on an integrated system consisting of Perkin Elmer ATD 50 automated thermal desorber connected to a Hewlett Packard 5890 gas chromatograph interfaced to VG Trio 1000 quadruple mass spectrometer.
FungiSaccharomyces Cerevisiaemalt extractThe VOCs absorbed by the porous polymers were analysed on an integrated system consisting of Perkin Elmer ATD 50 automated thermal desorber connected to a Hewlett Packard 5890 gas chromatograph interfaced to VG Trio 1000 quadruple mass spectrometer.
BacteriaSerratia Spp.tryptone soyaThe VOCs absorbed by the porous polymers were analysed on an integrated system consisting of Perkin Elmer ATD 50 automated thermal desorber connected to a Hewlett Packard 5890 gas chromatograph interfaced to VG Trio 1000 quadruple mass spectrometer.Yes
FungiSaccharomyces Cerevisiaemalt extract The VOCs absorbed by the porous polymers were analysed on an integrated system consisting of Perkin Elmer ATD 50 automated thermal desorber connected to a Hewlett Packard 5890 gas chromatograph interfaced to VG Trio 1000 quadruple mass spectrometer.Yes


4-methoxybenzaldehyde

Mass-Spectra

Compound Details

Synonymous names
p-Methoxybenzylidenemalonitrile
Methoxybenzaldehyde
paraanisaldehyde
para-methoxybenzaldehyde
Anisaldehyde
Anisaldehyde solution
p-Methoxybenzafdehyde
p-Methoxybenzaldehyde
anisaldehyd
4-methoxylbenzaldehyde
Aubepine
Crategine
para-anisaldehyde
ZRSNZINYAWTAHE-UHFFFAOYSA-N
4-Methoxybenzaldehyde
4-Methoxybenzaldhyde
Anisic aldehyde
Obepin
p-Formylanisole
4-methoxybenzahyde
Anis aldehyde
NATURAL ANISIC ALDEHYDE
P-ANISALDEHYDE
p-methoxy benzaldehyde
Methoxybenzaldehyde (Related)
p-Anisaldehyde, primary pharmaceutical reference standard
4-Anisaldehyde
4-methoxy benzaldehyde
4-Methoxy-benzaldehyde
AC1Q4CCF
p-Anisaldehyde, analytical standard
p-Anisic aldehyde
ACMC-1BAZN
p-anis aldehyde
p-Methoxy Benzaldehyde, Natural
p-Methoxybenzaldehyde (natural)
4-(methyloxy)benzaldehyde
Anisaldehyde (para)
Formylanisole, p-
p-Anisic aldehyde; p-Methoxybenzaldehyde; Anisaldehyde
SCHEMBL1100
AC1L1L81
anisic aldehyde (natural)
I922
KSC174M6D
p-Anisaldehyde (4-Methoxybenzaldehyde)
EBD1062
NSC5590
PubChem22535
A0480
CCRIS 821
CTK0H4661
AS02988
Benzaldehyde, 4-methoxy-
CHEMBL161598
p-Anisaldehyde, 98%
RP20260
9PA5V6656V
bmse010130
C10761
HMS3039F08
HSDB 2641
WLN: VHR DO1
ZINC157146
BBL027436
DTXSID2026997
Jsp001555
LS-2093
NSC 5590
NSC-5590
OR034277
OR156303
OR250016
OR250017
OR275512
SBB040224
ZB006571
A805017
DSSTox_CID_6997
M-6033
p-Anisaldehyde, certified reference material, TraceCERT(R)
p-Anisaldehyde, United States Pharmacopeia (USP) Reference Standard
Para Anisic Aldehyde, 4-Methoxy Benzaldehyde.
UNII-9PA5V6656V
AC-10379
AJ-14902
AK-72956
AN-22903
ANW-18100
BR-72956
Caswell No. 051E
CJ-01596
DSSTox_GSID_26997
LS-20018
SC-26765
ST2411506
TRA0080347
BB_NC-2206
BDBM50139370
DSSTox_RID_78277
MFCD00003385
ZINC00157146
AI3-00223
CCG-214805
DB-012818
KB-115367
KB-193002
METHYL, (4-METHOXYPHENYL)OXO-
RTR-003659
ST50213373
TR-003659
AKOS000118814
I01-0482
I01-8766
Q-100105
BRN 0471382
FEMA No. 2670
FT-0617622
MLS002152921
SMR001224521
Tox21_201943
Tox21_303331
123-11-5
4-Methoxybenzaldehyde, 98% 50g
BENZALDEHYDE,4-METHOXY MFC8 H8 O2
F2190-0575
p-Anisaldehyde, for synthesis, 98.0%
p-Anisaldehyde, natural, 98%, FG
MCULE-9537754812
NCGC00090807-01
NCGC00090807-02
NCGC00257076-01
NCGC00259492-01
CAS-123-11-5
EINECS 204-602-6
EINECS 256-891-3
26249-15-0
68894-36-0
EC 204-602-6
721942-53-6
MolPort-000-871-198
p-Anisaldehyde, >=97.5%, FCC, FG
29578-EP2284160A1
29578-EP2292628A2
29578-EP2305695A2
29578-EP2305696A2
29578-EP2305697A2
29578-EP2305698A2
29578-EP2308838A1
29578-EP2311825A1
29578-EP2311842A2
79582-EP2287153A1
79582-EP2292628A2
79582-EP2298755A1
79582-EP2305695A2
79582-EP2305696A2
79582-EP2305697A2
79582-EP2305698A2
79582-EP2374783A1
79582-EP2377841A1
4-08-00-00252 (Beilstein Handbook Reference)
InChI=1/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H
Microorganism:

Yes

IUPAC name4-methoxybenzaldehyde
SMILESCOC1=CC=C(C=C1)C=O
InchiInChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
FormulaC8H8O2
PubChem ID31244
Molweight136.15
LogP1.53
Atoms18
Bonds18
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationAldehydes Benzenoids Ethers

mVOC Specific Details

Vapor Pressure
PressureReference
1 MM HG @ 73 DEG CClayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 2663
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiDaedalea Juniperinan/aStotzky and Schenk, 1976
Fungi Polyporus BenzoinusBirkinshaw et al 1952
Fungi Trametes SuaveolensBirkinshaw et al. 1945
Fungi Bjerkandera AdustaSpinnler at al. 1998
FungiClitocybe OdoraRapior et al. 2002
FungiLentinellus CochleatusRapior et al. 2002
FungiBjerkandera Adusta CBS 595.78n/aLapadatescu et al., 2000
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiDaedalea Juniperinan/an/a
Fungi Polyporus Benzoinusno
Fungi Trametes Suaveolensno
Fungi Bjerkandera Adustano
FungiClitocybe Odorahydro-destillation, solvent extraction, GC-MSno
FungiLentinellus Cochleatushydro-destillation, solvent extraction, GC-MSno
FungiBjerkandera Adusta CBS 595.78Minimal media plus glucose and L-phenylalanineExtraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.


2-methoxy-3-(2-methylpropyl)pyrazine

Mass-Spectra

Compound Details

Synonymous names
UXFSPRAGHGMRSQ-UHFFFAOYSA-
UXFSPRAGHGMRSQ-UHFFFAOYSA-N
IBMP
PRZ
1dzk
2nnd
ACMC-1CLYW
1qy1
2-ISOBUTYL-3-METHOXYPYRAZINE
2-Methoxy-3-isobutylpyrazine
3-Isobutyl-2-methoxypyrazine
3-methoxy-2-isobutylpyrazine
PubChem8620
L291
AC1L1O06
CHEMBL97355
I0331
2-Isobutyl-3-methoxypyrazine, analytical standard
BDBM12031
CTK0B5871
DB04512
SCHEMBL113424
3-iso butyl-2-methoxypyrazine
2-methoxy-3-isobutyl pyrazine
VP40070
2-Isobutyl-3-methoxy-pyrazine
S327O0T12O
ZINC156517
SY015681
Jsp004928
ZB006362
HE189645
HE001378
DTXSID9051907
HE328414
AK116596
Z-4331
UNII-S327O0T12O
A817435
DSSTox_GSID_51907
TRA0027354
AJ-13829
Pyrazine, 2-isobutyl-3-methoxy
Pyrazine, (2-methylpropyl)methoxy-
AN-18712
ANW-25510
AX8006998
CC-15393
FCH1115223
ZX-AT029288
DSSTox_CID_30469
ZINC00156517
ACN-S003350
MFCD00006128
C-04799
DB-021268
TR-011368
KB-309281
KB-173462
KB-173321
ST24040724
ST50307154
Q-100308
Q-100318
2-Isobutyl-3-methoxypyrazine, 99%
AKOS015837530
I14-0726
FEMA No. 3132
2-Methoxy-3-(2-methylpropyl)pyrazine
Pyrazine, 2-methoxy, 3-isobutyl
Pyrazine, 2-isobutyl-3-methoxy-
I14-13659
Tox21_303996
NCGC00357216-01
2-Isobutyl-3-methoxypyrazine, >=99%, FG
MCULE-7827160463
EINECS 246-402-1
24683-00-9
2-Methoxy-3-(2-methyl-propyl) pyrazine
Pyrazine, 3-methoxy-2-(2-methylpropyl)
Pyrazine, 2-(2-methylpropyl)-3-methoxy
142418-59-5
CAS-24683-00-9
MolPort-001-768-185
Pyrazine, 2-methoxy-3-(2-methylpropyl)-
InChI=1/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3
Microorganism:

Yes

IUPAC name2-methoxy-3-(2-methylpropyl)pyrazine
SMILESCC(C)CC1=NC=CN=C1OC
InchiInChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3
FormulaC9H14N2O
PubChem ID32594
Molweight166.224
LogP1.54
Atoms26
Bonds26
H-bond Acceptor3
H-bond Donor0
Chemical ClassificationPyrazines Ethers nitrogen containing compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatus Cm C2n/aDickschat et al., 2005_6
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatus Cm C2n/an/a


2-methoxy-3-propan-2-ylpyrazine

Mass-Spectra

Compound Details

Synonymous names
Isopropylmethoxypyrazine
Isopropyl methylpyrazine
NTOPKICPEQUPPH-UHFFFAOYSA-
NTOPKICPEQUPPH-UHFFFAOYSA-N
bean pyrazine
IPZ
ACMC-1CRZG
1qy2
3-isopropyl-2-methoxypyrazine
AC1L1P2W
2-Methoxy-3-isopropylpyrazine
2-ISOPROPYL-3-METHOXYPYRAZINE
PubChem8619
KSC495G2B
L292
CHEMBL96852
2133AB
2-Methoxy-3-isopropyl pyrazine
I0577
BDBM12030
2-Isopropyl-3-methoxy-pyrazine
CTK3J5320
SCHEMBL111252
UNII-C90S36R5GY component NTOPKICPEQUPPH-UHFFFAOYSA-N
VP40051
DB01760
ZINC156526
1FL7L111A6
ZB006364
2-methoxy-3-(methylethyl)pyrazine
DTXSID4067147
Jsp005094
AK116762
HE000985
HE189650
UNII-1FL7L111A6
A818004
CJ-01525
TRA0070164
SC-02934
Pyrazine, methoxy(1-methylethyl)-
AJ-13830
AN-24733
ANW-25811
CC-11168
FCH1115224
AX8023188
ZINC00156526
C-03071
MFCD00006135
Click) IUPAC Name :2
KB-173342
DB-021269
TC-064041
ST50307153
2-methoxy-3-propan-2-ylpyrazine
RTC-064041
2-Isopropyl-3-methoxypyrazine, 97%
W-107219
I14-1189
AKOS015851854
FEMA No. 3358
FT-0612705
2-methoxy-3-propan-2-yl-pyrazine
MCULE-8538729762
EINECS 247-256-1
2-methoxy-3-(propan-2-yl)pyrazine
EINECS 299-837-4
2-Isopropyl-3-methoxypyrazine, 99%, FG
25773-40-4
MolPort-002-343-990
Pyrazine, 2-methoxy-3-(1-methylethyl)-
InChI=1/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
Microorganism:

Yes

IUPAC name2-methoxy-3-propan-2-ylpyrazine
SMILESCC(C)C1=NC=CN=C1OC
InchiInChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
FormulaC8H12N2O
PubChem ID33166
Molweight152.197
LogP1.35
Atoms23
Bonds23
H-bond Acceptor3
H-bond Donor0
Chemical ClassificationPyrazines Ethers nitrogen containing compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaPseudomonas Taetroleusn/aSchulz and Dickschat, 2007
BacteriaPseudomonas Perolens ATCC 10757nasterile fish muscle (Sebastes melanops)Miller et al., 1973
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaPseudomonas Taetroleusn/an/a
BacteriaPseudomonas Perolens ATCC 10757Trypticase soil agar (BBL)GC/MS


Methyl 2-methoxybenzoate

Mass-Spectra

Compound Details

Synonymous names
Dimethyl salicylate
Methylsalicylate methyl ether
PFYHAAAQPNMZHO-UHFFFAOYSA-N
methyl2-methoxybenzoate
Methyl o-methoxybenzoate
Methyol o-methoxybenzoate
methyl ortho-anisate
Dimethyl derivative of Salicylic acid
Methyl 2-methoxybenzoate
o-Methoxy methyl benzoate
AC1L1UMU
o-Methoxybenzoic acid methyl ester
Methyl o-methoxy benzoate
Methyl o-anisate
ACMC-1BCWD
Methyl salicylate o-methyl ether
2-Methoxybenzoic acid methyl
SB18J2MCQL
Methyl ester of o-Methoxybenzoic acid
2-Methoxybenzoic Acid Methyl Ester
Methyl 2-methoxy-benzoate
o-Anisic Acid Methyl Ester
o-Methoxybenzoic acid, methyl ester
UNII-SB18J2MCQL
Methoxy methylbenzoate, o-
KSC494C1L
PubChem20353
2-Methoxybenzoic acid, methyl ester
CTK3J4115
2-methoxy-benzoic acid methyl ester
A0483
SCHEMBL196037
o-Anisic acid, methyl ester
ZINC409176
Methyl 2-methoxybenzoate, >=97%
BBL010503
Methyl 2-methoxybenzoate, 99%
NSC406256
LS-2939
GS-6864
OR011232
SBB061390
DTXSID5047087
STL146150
CHEMBL2252121
ZB013847
AB1008271
AJ-22658
AN-21606
ANW-33546
AK-94060
Methyl o-anisate; 2-Methoxybenzoic acid methyl ester
CJ-04168
DSSTox_GSID_47087
KB-53940
BB_SC-6845
ZINC00409176
DSSTox_CID_27087
MFCD00008423
DSSTox_RID_82099
DB-013416
TL80090629
ST50331830
ST24030974
RT-001876
AI3-00680
NSC 406256
NSC-406256
AKOS005715211
I01-6185
W-105239
Benzoic acid, o-methoxy-, methyl ester
FT-0612822
FEMA No. 2717
BRN 2207356
Tox21_302334
BENZOIC ACID, 2-METHOXY-, METHYL ESTER
606-45-1
NCGC00256043-01
MCULE-7991158417
EINECS 210-118-6
CAS-606-45-1
MolPort-003-928-750
o-Anisic acid, methyl ester (7CI,8CI)
AE-562/40238261
4-10-00-00144 (Beilstein Handbook Reference)
InChI=1/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H
Microorganism:

Yes

IUPAC namemethyl 2-methoxybenzoate
SMILESCOC1=CC=CC=C1C(=O)OC
InchiInChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3
FormulaC9H10O3
PubChem ID61151
Molweight166.176
LogP1.82
Atoms22
Bonds22
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationBenzenoids Esters Ethers

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a


2-(methoxymethyl)furan

Mass-Spectra

Compound Details

Synonymous names
Furfurylmethyl ether
GANSPRKOWQQXPE-UHFFFAOYSA-N
Furfuryl methyl ether
Methyl furfuryl ether
2-Methoxymethyl furan
AC1L1VOJ
2-furylmethyl methyl ether
RRM754RXFN
2-(Methoxymethyl)furan
2-Furfuryl methyl ether
UNII-RRM754RXFN
ACMC-1AZ1Z
METHYL, 2-FURANYLMETHOXY-
CTK3F1857
NSC35554
SCHEMBL872796
DTXSID8065581
FCH846086
HE311318
Furan, (methoxymethyl)-
HE308313
SCHEMBL9239311
HE025666
ZINC1668230
GEO-03174
CJ-27048
NSC 35554
NSC-35554
AN-18474
SCHEMBL13088437
AI3-23506
AKOS006276035
Furan, 2-(methoxymethyl)-
FEMA No. 3159
BBV-38282298
EINECS 237-176-5
97970-44-0
13679-46-4
Microorganism:

Yes

IUPAC name2-(methoxymethyl)furan
SMILESCOCC1=CC=CO1
InchiInChI=1S/C6H8O2/c1-7-5-6-3-2-4-8-6/h2-4H,5H2,1H3
FormulaC6H8O2
PubChem ID61661
Molweight112.128
LogP0.91
Atoms16
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationFuran Ethers furans

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
Fungi Abraham et al. 1990
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatusn/an/a
Fungi no


4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one

Compound Details

Synonymous names
AC1L3KYV
CTK8H7253
AN-17967
EINECS 245-542-0
4-(1,2-Epoxy-2,6,6-trimethylcyclohexyl)-3-butenone-2
4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one
4-(2,2,6-Trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-3-buten-2-one
3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-
3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-
Microorganism:

Yes

IUPAC name4-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)but-3-en-2-one
SMILESCC(=O)C=CC12C(CCCC1(O2)C)(C)C
InchiInChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3
FormulaC13H20O2
PubChem ID90899
Molweight208.301
LogP2.8
Atoms35
Bonds36
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationTerpenes Ethers Ketones Alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCalothrix Sp.n/aHoeckelmann et al., 2004
BacteriaCalothrix Spp.n/aSchulz and Dickschat, 2007
BacteriaCyanobacterian/aHoeckelmann et al., 2004
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/aSchulz and Dickschat, 2007
BacteriaPhormidium Sp.n/aSchulz and Dickschat, 2007
BacteriaPlectoneman/aSchulz and Dickschat, 2007
BacteriaPlectonema Notatumn/aHoeckelmann et al., 2004
BacteriaPlectonema Sp.n/aHoeckelmann et al., 2004
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaSpirulina Platensisn/aSchulz and Dickschat, 2007
BacteriaTolypothrix Distortan/aHoeckelmann et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCalothrix Sp.n/an/a
BacteriaCalothrix Spp.n/an/a
BacteriaCyanobacterian/an/a
BacteriaCytophaga-Flavobacteria-Bacteroides Groupn/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaPlectoneman/an/a
BacteriaPlectonema Notatumn/an/a
BacteriaPlectonema Sp.n/an/a
BacteriaRivularia Sp.n/an/a
BacteriaSpirulina Platensisn/an/a
BacteriaTolypothrix Distortan/an/a


(4-methoxyphenyl)-phenylmethanol

Compound Details

Synonymous names
BEGZWXVLBIZFKQ-UHFFFAOYSA-N
4-Methoxybenzohydrol
4-Methoxybenzhydrol
4-Methoxybenzhydryl alcohol
DL-4-METHOXYBENZHYDROL
MAMP-OH resin
4-Methoxybenzhydrol, polymer-bound
AC1L3U6C
AC1Q56UI
(4-methoxyphenyl)-phenylmethanol
NSC5186
ACMC-209olf
M1278
CTK5D5446
Benzenemethanol,4-methoxy-a-phenyl-
SCHEMBL477621
(4-Methoxyphenyl)(phenyl)methanol
Benzenemethanol, 4-methoxy-alpha-phenyl-
METHYL, HYDROXY(4-METHOXYPHENYL)PHENYL-
AK140451
SBB057867
OR221832
OR139612
BBL036017
OR027175
STK022522
(4-methoxyphenyl)phenylmethan-1-ol
NSC-5186
(4-Methoxyphenyl)(phenyl)methanol #
(4-Methoxy-phenyl)-phenyl-methanol
TL8005047
AC-20896
AX8098491
ANW-36145
MFCD00014398
C-51787
TC-124890
ST50407817
DB-055600
AKOS005379031
FT-0618918
Benzenemethanol, 4-methoxy-.alpha.-phenyl-
I01-23275
720-44-5
MCULE-6836919933
EINECS 211-953-9
MolPort-002-051-626
AE-641/00008036
Microorganism:

Yes

IUPAC name(4-methoxyphenyl)-phenylmethanol
SMILESCOC1=CC=C(C=C1)C(C2=CC=CC=C2)O
InchiInChI=1S/C14H14O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14-15H,1H3
FormulaC14H14O2
PubChem ID95375
Molweight214.264
LogP2.83
Atoms30
Bonds31
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationBenzenoids Alcohols Ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a


4-phenylmethoxybenzonitrile

Mass-Spectra

Compound Details

Synonymous names
4-phenylmethoxybenzenecarbonitrile
4-phenylmethoxybenzonitrile
4-Benzyloxybenzonitrile
UDAOJHAASAWVIQ-UHFFFAOYSA-N
4-(phenylmethoxy)benzenecarbonitrile
4-benzyloxy benzonitrile
4-Benzyloxy-benzonitrile
AC1LBO7L
4-cyanophenoxy phenyl methane
Benzonitrile analogue, 5a
AC1Q4RS5
4-(benzyloxy)benzonitrile
7472AB
OR4863
CTK1D4900
BDBM86781
HMS558H20
ZINC76272
ACMC-209l1v
SCHEMBL403151
FCH090097
CHEMBL2204754
CCG-1866
ZB002723
SBB094201
OR023934
A829259
K-9621
BC4133036
AX8094509
ANW-31553
AK-46888
CJ-00594
AJ-10379
AC-27866
KB-85922
ZX-AT011324
ZINC00076272
MFCD00079701
Maybridge1_005982
C-56649
Benzonitrile, 4-(phenylmethoxy)-
BBV-112390
ST50408391
TR-018707
Oprea1_847556
AKOS000113852
ACM52805364|1
FT-0617665
BB 0244138
I01-13362
MCULE-3806909478
52805-36-4
431946-37-1
MolPort-000-145-549
Microorganism:

Yes

IUPAC name4-phenylmethoxybenzonitrile
SMILESC1=CC=C(C=C1)COC2=CC=C(C=C2)C#N
InchiInChI=1S/C14H11NO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,11H2
FormulaC14H11NO
PubChem ID561371
Molweight209.248
LogP3.4
Atoms27
Bonds28
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationBenzenoids Ethers N-Compounds nitrogen compounds nitriles

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Trivialis 3Re2-7n/aKai et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Trivialis 3Re2-7n/an/a


1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol

Compound Details

Synonymous names
RZXMLQNGLFUMLB-UHFFFAOYSA-N
AC1LBQEK
SCHEMBL16432061
2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
1-(3-Methoxy-2-pyrazinyl)-2-methyl-1-propanol
1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol
Microorganism:

Yes

IUPAC name1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol
SMILESCC(C)C(C1=NC=CN=C1OC)O
InchiInChI=1S/C9H14N2O2/c1-6(2)8(12)7-9(13-3)11-5-4-10-7/h4-6,8,12H,1-3H3
FormulaC9H14N2O2
PubChem ID587218
Molweight182.223
LogP0.75
Atoms27
Bonds27
H-bond Acceptor4
H-bond Donor1
Chemical ClassificationPyrazines Ethers Alcohols nitrogen containing compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatus Cm C5n/aSchulz et al., 2004
BacteriaChondromyces Crocatusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatus Cm C5n/an/a
BacteriaChondromyces Crocatusn/an/a


Methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Compound Details

Synonymous names
FERULICACIDMETHYLESTER
trans-methylferulate
AUJXJFHANFIVKH-GQCTYLIASA-N
Ferulic acid methylester
Methyl ferulate
Ferulic acid methyl ester
AC1NSAI3
trans-Ferulic acid methyl ester
Y98BUA66RX
methyl 4-hydroxy-3-methoxycinnamate
AC1Q41K7
UNII-Y98BUA66RX
CHEMBL32969
NSC74548
bmse010229
bmse000609
GS-3694
SBB059306
STK665368
CHEBI:67379
ZINC1621053
LS-54118
NSC 74548
NSC-74548
AK-88786
CJ-05793
ST2413323
AJ-28336
ST4134741
AB1009461
MFCD00017208
4-hydroxy-3-methoxy-cinnamic acid methyl ester
ZINC01621053
ALBB-026142
AI3-23713
TC-133591
KB-114344
KB-203012
AKOS025310509
J-014979
I01-8171
AKOS003404666
(E)4-hydroxy-3-methoxycinnamic acid methyl ester
FT-0698057
BRN 2731141
methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
methyl (E)-4-hydroxy-3-methoxycinnamate
EN300-28623
(E)-4-hydroxy-3-methoxycinnamic acid methyl ester
2309-07-1
MCULE-7084750759
22329-76-6
methyl(E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
CINNAMIC ACID, 4-HYDROXY-3-METHOXY-, METHYL ESTER
MolPort-001-786-899
methyl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid methyl ester
Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Methyl (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
4-10-00-01779 (Beilstein Handbook Reference)
methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester
methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
Methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate #
Ferulic acid methyl ester; 4-Hydroxy-3-methoxycinnamic acid methyl ester; Methyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester (9CI)
2-Propenoic acid,3-(4-hydroxy-3-methoxyphenyl)-, methyl ester, (2E)-
2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester, (2E)-
Microorganism:

No

IUPAC namemethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILESCOC1=C(C=CC(=C1)C=CC(=O)OC)O
InchiInChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+
FormulaC11H12O4
PubChem ID5357283
Molweight208.213
LogP2.05
Atoms27
Bonds27
H-bond Acceptor3
H-bond Donor1
Chemical ClassificationBenzenoids Alcohols Esters Ethers Alkenes phenylpropanoids

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiPuccinia Graminis Var. TriticiProbably an active inhibitor of germinatinon of uredospores of Puccinia graminis.Stotzky and Schenk, 1976
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiPuccinia Graminis Var. Triticin/an/a


2-methoxy-3,5-dimethylpyrazine

Compound Details

Synonymous names
BXKLSVWRSUPMBO-UHFFFAOYSA-N
AC1O57Q5
Z5351
CTK3H0079
2-Methoxy-3,5-dimethylpyrimidine
2-methoxy-3,5-dimethylpyrazine
SCHEMBL1487932
MP-0942
HE030514
ACMC-20a494
ANW-56438
CJ-14541
DTXSID30423905
KB-68917
AK-55018
AJ-64867
AB0059901
MFCD00126946
ZINC14448311
ST24022290
TC-145183
AKOS016004800
4CH-010770
Pyrazine, 2-methoxy-3,5-dimethyl-
92508-08-2
MolPort-023-332-300
Microorganism:

Yes

IUPAC name2-methoxy-3,5-dimethylpyrazine
SMILESCC1=CN=C(C(=N1)C)OC
InchiInChI=1S/C7H10N2O/c1-5-4-8-7(10-3)6(2)9-5/h4H,1-3H3
FormulaC7H10N2O
PubChem ID6429218
Molweight138.17
LogP0.24
Atoms20
Bonds20
H-bond Acceptor3
H-bond Donor0
Chemical ClassificationPyrazines Ethers nitrogen containing compounds nitrogen compounds heterocylces

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaChondromyces Crocatus Cm C2n/aDickschat et al., 2005_6
BacteriaChondromyces Crocatus Cm C2n/aSchulz et al., 2004
BacteriaChondromyces Crocatus Cm C5n/aDickschat et al., 2005_6
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaChondromyces Crocatus Cm C2n/an/a
BacteriaChondromyces Crocatus Cm C5n/an/a