Results for:
chemical Classification: halogenated compounds

1-fluorododecane

Compound Details

Synonymous names
Dodecylfluoride
fluorododecane
YHYBNVZCQIDLSQ-UHFFFAOYSA-N
Dodecyl fluoride
1-fluoranyldodecane
1-FLUORODODECANE
n-Dodecyl fluoride
AC1L1TAG
1-dodecyl fluoride
1-fluoro-dodecane
ACMC-20aouy
PC3134
CTK1C4973
SCHEMBL318325
SBB090835
LP001986
DTXSID6074706
Dodecane, 1-fluoro-
1-Fluorododecane, 98%
ACM334689
C-5345
ZINC2040783
A821788
LS-63486
KB-84797
ZX-AP002491
MFCD00013580
C-51445
TR-014003
DB-048416
AKOS007930497
J-019203
FT-0607782
BRN 1738884
I14-29967
334-68-9
MCULE-3563531940
EINECS 206-381-1
MolPort-001-773-628
4-01-00-00500 (Beilstein Handbook Reference)
Microorganism:

Yes

IUPAC name1-fluorododecane
SMILESCCCCCCCCCCCCF
InchiInChI=1S/C12H25F/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
FormulaC12H25F
PubChem ID9548
Molweight188.33
LogP5.25
Atoms38
Bonds37
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationHalogenated compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens FZB42Agriculture University of Nanjing, ChinaTahir et al. 2020
BacteriaBacillus Artrophaeus LSSC22Agriculture University of Nanjing, ChinaTahir et al. 2033
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens FZB42LBSPME-GC-MSno
BacteriaBacillus Artrophaeus LSSC22LBSPME-GC-MSno


1-iodododecane

Mass-Spectra

Compound Details

Synonymous names
iodododecane
GCDPERPXPREHJF-UHFFFAOYSA-N
GCDPERPXPREHJF-UHFFFAOYSA-
N-IODODODECANE
Lauryl iodide
Dodecyl iodide
1-iodanyldodecane
1-IODODODECANE
n-Dodecyl iodide
AC1L2FXY
PubChem3943
ACMC-1CT0I
AC1Q2W61
6045AF
ZLE0045
OR4679
NSC9285
C12H25I
Dodecane,1-iodo-
CTK1D7740
I0511
NE10074
zlchem 1270
STR02749
SCHEMBL337211
AS02230
NSC 9285
DTXSID1049302
LP009260
NSC-9285
CHEMBL3181940
1-Iodododecane, 98%
A826068
ZINC1699897
Dodecane, 1-iodo-
DSSTox_GSID_49302
ATTERCOP-CHM AT113483
MFCD00001088
DSSTox_RID_83377
DSSTox_CID_29158
KB-159902
TC-171862
AKOS009158472
FT-0607957
I14-47353
Tox21_202834
NCGC00260380-01
4292-19-7
EINECS 224-293-1
CAS-4292-19-7
MolPort-001-768-402
InChI=1/C12H25I/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
Microorganism:

Yes

IUPAC name1-iodododecane
SMILESCCCCCCCCCCCCI
InchiInChI=1S/C12H25I/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
FormulaC12H25I
PubChem ID20282
Molweight296.236
LogP6.33
Atoms38
Bonds37
H-bond Acceptor0
H-bond Donor0
Chemical Classificationhalogenated compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Brassicacearum USB2104narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Brassicacearum USB2104King's B AgarSPME-GC/MSNo


1-iodooctadecane

Mass-Spectra

Compound Details

Synonymous names
iodooctadecane
octadecyliodide
ZNJOCVLVYVOUGB-UHFFFAOYSA-N
Octadecyl iodide
Stearyl iodide
1-IODOOCTADECANE
n-Octadecyl iodide
AC1L1ZIR
AC1Q2W4O
U365
C18H37I
ACMC-1B9M1
NSC5544
CTK2F7100
I0065
SCHEMBL226201
SBB007776
Octadecane, 1-iodo-
NSC-5544
NSC 5544
1-Iodooctadecane, 95%
LP012335
FR-0316
DTXSID7060881
ZINC6920368
TL8004349
AN-46938
ANW-34495
API0003657
MFCD00001090
KB-159909
TR-021685
AKOS015839785
W-104944
FT-0607967
I14-47359
629-93-6
MCULE-7219587354
EINECS 211-117-3
Microorganism:

Yes

IUPAC name1-iodooctadecane
SMILESCCCCCCCCCCCCCCCCCCI
InchiInChI=1S/C18H37I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
FormulaC18H37I
PubChem ID12402
Molweight380.398
LogP9
Atoms56
Bonds55
H-bond Acceptor0
H-bond Donor0
Chemical Classificationhalogenated compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Megaterium USB2103narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Putida USB2105narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Megaterium USB2103King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo


1-iodotridecane

Compound Details

Synonymous names
XGAMQNYEIPCUIZ-UHFFFAOYSA-N
Tridecyl iodide
1-Iodotridecane
AC1LC0DC
1-Iodotridecane #
CTK1C1083
LP086296
SCHEMBL1373809
Tridecane, 1-iodo-
DTXSID60337940
35599-77-0
Microorganism:

Yes

IUPAC name1-iodotridecane
SMILESCCCCCCCCCCCCCI
InchiInChI=1S/C13H27I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3
FormulaC13H27I
PubChem ID545617
Molweight310.263
LogP6.78
Atoms41
Bonds40
H-bond Acceptor0
H-bond Donor0
Chemical Classificationhalogenated compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Putida USB2105narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo


1,3,5-trichloro-2-methoxybenzene

Mass-Spectra

Compound Details

Synonymous names
WCVOGSZTONGSQY-UHFFFAOYSA-N
Tyrene
AC1L1NIJ
2,6-Trichloroanisole
SCHEMBL54507
Methyl 2,6-trichlorophenyl ether
ACMC-209qka
CTK5F8335
ZINC56578
NSC35142
C11510
2,4.6-Trichloroanisole
2,4,6-TRICHLOROANISOLE
1,5-Trichloro-2-methoxybenzene
DTXSID9073886
OR022271
OR143733
OR143734
AK135825
ZB001724
Anisole,4,6-trichloro-
CHEBI:19333
NSC-35142
NSC 35142
Methyl 2,4,6-trichlorophenyl ether
HCH0017538
FCH1319450
CC-07138
AJ-09318
ANW-38696
AX8066213
C-11026
ZINC00056578
MFCD00000588
DB-057000
TR-027352
31O3X41254
KB-216363
ST50319791
AI3-09173
AKOS015849927
2,4,6-Trichloro-1-methoxybenzene
UNII-31O3X41254
1,3,5-Trichloro-2-methoxybenzene
FT-0631413
87-40-1
I01-16927
Benzene,3,5-trichloro-2-methoxy-
Anisole, 2,4,6-trichloro-
2,4,6-Trichloroanisole, 99%
MCULE-3937577659
EINECS 201-743-5
Benzene,1,3,5-trichloro-2-methoxy-
2,4,6-Trichloroanisole, PESTANAL(R), analytical standard
Benzene, 1,3,5-trichloro-2-methoxy-
Anisole, 2,4,6-trichloro- (8CI)
Benzene, 1,3,5-trichloro-2-methoxy- (9CI)
InChI=1/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H
Microorganism:

Yes

IUPAC name1,3,5-trichloro-2-methoxybenzene
SMILESCOC1=C(C=C(C=C1Cl)Cl)Cl
InchiInChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
FormulaC7H5Cl3O
PubChem ID6884
Molweight211.47
LogP3.63
Atoms16
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids ethers halogenated compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomyces Ciscaucasicus W214potentially involved in antifungal activityCordovez et al., 2015
BacteriaStreptomyces Ciscaucasicus W47potentially involved in antifungal activityCordovez et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomyces Ciscaucasicus W214GA-mediumSPME/GC-MS
BacteriaStreptomyces Ciscaucasicus W47GA-mediumSPME/GC-MS


1,5-dichloro-2,3-dimethoxybenzene

Compound Details

Synonymous names
BCWABYVHGXOWHB-UHFFFAOYSA-N
AC1L1KBL
ZINC2014169
DTXSID20238080
1,3-Dichloro-4,5-dimethoxybenzene
1,5-DICHLORO-2,3-DIMETHOXYBENZENE
1,2-Dimethoxy-3,5-dichloro-benzene
1,5-Dichloro-2,3-dimethoxybenzene #
90283-01-5
Benzene, 3,5-dichloro-1,2-dimethoxy
Benzene, 1,5-dichloro-2,3-dimethoxy-
Microorganism:

Yes

IUPAC name1,5-dichloro-2,3-dimethoxybenzene
SMILESCOC1=CC(=CC(=C1OC)Cl)Cl
InchiInChI=1S/C8H8Cl2O2/c1-11-7-4-5(9)3-6(10)8(7)12-2/h3-4H,1-2H3
FormulaC8H8Cl2O2
PubChem ID56062
Molweight207.05
LogP2.87
Atoms20
Bonds20
H-bond Acceptor2
H-bond Donor0
Chemical Classificationhalogenated compounds benzenoids ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Anthracophyllum DiscolorSchalchali et al. 2015
Fungi GeniculosporiumWang et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Anthracophyllum Discolorno
Fungi Geniculosporiumno


2-bromo-6-ethylnaphthalene

Compound Details

Synonymous names
QMIKILLYMUGDDP-UHFFFAOYSA-N
AC1LD6SD
2-Bromo-6-ethylnaphthalene
SCHEMBL12303960
ZINC137258877
Microorganism:

Yes

IUPAC name2-bromo-6-ethylnaphthalene
SMILESCCC1=CC2=C(C=C1)C=C(C=C2)Br
InchiInChI=1S/C12H11Br/c1-2-9-3-4-11-8-12(13)6-5-10(11)7-9/h3-8H,2H2,1H3
FormulaC12H11Br
PubChem ID613052
Molweight235.124
LogP4.69
Atoms24
Bonds25
H-bond Acceptor0
H-bond Donor0
Chemical Classificationhalogenated compounds benzenoids

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiLentinula EdodesnanaÇağlarırmak et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiLentinula EdodesnaGC/MSNo


2-bromododecane

Compound Details

Synonymous names
GIUUCQVKMWBSRT-UHFFFAOYSA-N
2-Bromododecane
ACMC-1BRDO
2-Bromo dodecane
AC1L402G
AC1Q24B3
CTK0I4247
NSC97571
SCHEMBL1001129
LP007500
Dodecane, 2-bromo-
NSC-97571
TC-170838
J-006076
AKOS009156715
2-Bromododecane, technical grade, 85%
I14-48622
EINECS 236-142-7
13187-99-0
Microorganism:

Yes

IUPAC name2-bromododecane
SMILESCCCCCCCCCCC(C)Br
InchiInChI=1S/C12H25Br/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3
FormulaC12H25Br
PubChem ID98299
Molweight249.236
LogP5.87
Atoms38
Bonds37
H-bond Acceptor0
H-bond Donor0
Chemical Classificationhalogenated compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Megaterium USB2103narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Brassicacearum USB2104narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Putida USB2105narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Megaterium USB2103King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Brassicacearum USB2104King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo


2-bromotetradecane

Compound Details

Synonymous names
WZGQIDWFBFDMLE-UHFFFAOYSA-N
2-BROMOTETRADECANE
CTK2H6254
Tetradecane, 2-bromo-
LP001788
SCHEMBL1003662
DTXSID80510172
C-50019
MFCD00045033
DB-055832
AKOS009157417
FT-0611614
I14-112372
74036-95-6
Microorganism:

Yes

IUPAC name2-bromotetradecane
SMILESCCCCCCCCCCCCC(C)Br
InchiInChI=1S/C14H29Br/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h14H,3-13H2,1-2H3
FormulaC14H29Br
PubChem ID12798926
Molweight277.29
LogP6.76
Atoms44
Bonds43
H-bond Acceptor0
H-bond Donor0
Chemical Classificationhalogenated compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Megaterium USB2103narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Megaterium USB2103King's B AgarSPME-GC/MSNo


2-chloro-2-nitropropane

Compound Details

Synonymous names
JQYFSFNSNVRUPY-UHFFFAOYSA-N
AC1L1XVF
2-CHLORO-2-NITROPROPANE
7043AF
NSC3642
47BO4I4HL2
WLN: WNXG1&1
CTK5B0008
CHEMBL442666
HSDB 1407
UNII-47BO4I4HL2
HMS3039H15
CCRIS 5998
SCHEMBL6703204
OR032132
DTXSID7024798
NSC-3642
NSC 3642
2-chloro-2-nitro-propane
LS-1421
DSSTox_CID_4798
ZINC1666915
CJ-27008
DSSTox_GSID_24798
KB-22058
DSSTox_RID_77536
AI3-15635
Propane,2-chloro-2-nitro-
AKOS006272595
FT-0691607
MLS002454363
SMR001371987
Propane, 2-chloro-2-nitro-
Tox21_200336
594-71-8
NCGC00257890-01
NCGC00090815-02
NCGC00090815-01
MCULE-9123451241
EINECS 209-853-5
CAS-594-71-8
Microorganism:

Yes

IUPAC name2-chloro-2-nitropropane
SMILESCC(C)([N+](=O)[O-])Cl
InchiInChI=1S/C3H6ClNO2/c1-3(2,4)5(6)7/h1-2H3
FormulaC3H6ClNO2
PubChem ID11673
Molweight123.54
LogP1.12
Atoms13
Bonds12
H-bond Acceptor2
H-bond Donor0
Chemical Classificationnitro compounds nitrogen containing compounds halogenated compounds

mVOC Specific Details

Vapor Pressure
PressureReference
8.5 MM HG @ 25 DEG CPatty, F. (ed.). Industrial Hygiene and Toxicology: Volume II: Toxicology. 2nd ed. New York: Interscience Publishers, 1963., p. 2080

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo


1,3-dichloro-2-methoxybenzene

Mass-Spectra

Compound Details

Synonymous names
KZLMCDNAVVJKPX-UHFFFAOYSA-N
2,6-Dichloromethoxybenzene
ACMC-1BUCI
AC1L27BB
PubChem3682
2,6-Dichloroanisole
2,6-Dichloranisole
L112
2,6-DICHLORANISOL
KSC180O1T
D1782
CTK0I0719
SCHEMBL254822
AS02856
AS04196
AM62605
ZINC388367
AK101352
OR025687
OR143883
1,3-Dichloro-2-methoxybenzene
DTXSID1062097
ZB011466
A813993
Q-8051
TRA0169733
KB-18194
FCH1112168
CC-08018
CJ-03224
AJ-20580
AN-50220
ANW-23825
AX8232891
2,3- dichloro methyl phenoxide
C-06223
MFCD00000575
ACM1984652|1
ZINC00388367
RT-001527
ST24020933
ST50406726
1,3-Dichloro-2-methoxybenzene #
1,3-dichloro-2-methoxy-benzene
DB-030804
2,6-Dichloroanisole, 97%
1,3-dichloro-2-methoxy-benzen
AKOS015913810
J-012818
FT-0610592
Benzene, 2,6-dichloro-1-methoxy
benzene,1,3-dichloro-2-methoxy-
1,3-bis(chloranyl)-2-methoxy-benzene
MCULE-7391581314
1984-65-2
Benzene, 1,3-dichloro-2-methoxy-
EINECS 217-855-2
MolPort-003-926-895
InChI=1/C7H6Cl2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H
Microorganism:

No

IUPAC name1,3-dichloro-2-methoxybenzene
SMILESCOC1=C(C=CC=C1Cl)Cl
InchiInChI=1S/C7H6Cl2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
FormulaC7H6Cl2O
PubChem ID16127
Molweight177.02
LogP3.02
Atoms16
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBenzenoids halogenated compounds ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiFusarium Culmorum PVnasandy dune soil, NetherlandsSchmidt et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiFusarium Culmorum PVpotato dextrose agarGC/MS-Q-TOFNo


3-chloro-1,1,2,2-tetramethylcyclopropane

Compound Details

Synonymous names
PJYVFJJOVATWGF-UHFFFAOYSA-N
AC1LBXU1
CTK0B7091
OR218855
DTXSID70340627
3-Chloro-1,1,2,2-tetramethylcyclopropane
3-Chloro-1,1,2,2-tetramethylcyclopropane #
14123-41-2
Cyclopropane, 3-chloro-1,1,2,2-tetramethyl-
Microorganism:

Yes

IUPAC name3-chloro-1,1,2,2-tetramethylcyclopropane
SMILESCC1(C(C1(C)C)Cl)C
InchiInChI=1S/C7H13Cl/c1-6(2)5(8)7(6,3)4/h5H,1-4H3
FormulaC7H13Cl
PubChem ID566174
Molweight132.63
LogP2.79
Atoms21
Bonds21
H-bond Acceptor0
H-bond Donor0
Chemical Classificationhalogenated compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaRalstonia SolanacearumnanaSpraker et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSNo


3-chloro-4-methoxybenzaldehyde

Compound Details

Synonymous names
WYVGYYIZXPXHAZ-UHFFFAOYSA-N
3-Chloroanisaldehyde
3-Chloro-4-methoxybenzenecarbaldehyde
AC1L2VMM
3-Chloro-4-methoxybenzaldehyde
AC1Q45EQ
PubChem2638
3-Chloro-p-anisaldehyde
ACMC-1AP2W
AC1Q3M71
CL8902
C1797
CTK1D7568
3-Chloro-4-methoxybenzal dehyde
3-Chloro-4-methoxy-benzaldehyde
X2717
SCHEMBL335717
VZ26640
RP10500
CM10157
AM83075
AS03845
AS05559
CC-986
ZINC586297
A23104
BBL022911
ZB014488
STK198720
SBB003854
OR015102
Q-8044
AK-87995
DTXSID50197671
AJ-23615
SC-96200
ANW-13938
KB-31014
ACN-S001191
MFCD00016601
ZINC00586297
ST24042040
ST45059178
TC-069796
TL80073960
RTC-069796
3-Chloro-4-methoxybenzaldehyde, 97%
DB-011167
CS-W004738
AKOS000295169
J-512240
I01-5236
I01-3908
3 -Chloro-4 -me thoxybenzaldehyde
Benzaldehyde, 3-chloro-4-methoxy-
12W-0807
BB 0217678
FT-0615412
EN300-85152
MCULE-6598481701
4903-09-7
EINECS 225-532-2
MolPort-000-894-031
Microorganism:

Yes

IUPAC name3-chloro-4-methoxybenzaldehyde
SMILESCOC1=C(C=C(C=C1)C=O)Cl
InchiInChI=1S/C8H7ClO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
FormulaC8H7ClO2
PubChem ID78619
Molweight170.59
LogP2.13
Atoms18
Bonds18
H-bond Acceptor2
H-bond Donor0
Chemical Classificationhalogenated compounds benzenoids ethers aldehydes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Anthracophyllum DiscolorSchalchali et al. 2016
Fungi Bjerkandera AdustaSpinnler at al. 1996
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Anthracophyllum Discolorno
Fungi Bjerkandera Adustano


3-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]phenol

Compound Details

Synonymous names
YKLTVIAJEHKBRS-UHFFFAOYSA-N
AC1LBSMR
AKOS023431153
Benzeneethanamine, 3-fluoro-.beta.,5-dihydroxy-N-methyl-
3-Fluoro-5-[1-hydroxy-2-(methylamino)ethyl]phenol
3-Fluoro-5-[1-hydroxy-2-(methylamino)ethyl]phenol #
Microorganism:

Yes

IUPAC name3-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNCC(C1=CC(=CC(=C1)F)O)O
InchiInChI=1S/C9H12FNO2/c1-11-5-9(13)6-2-7(10)4-8(12)3-6/h2-4,9,11-13H,5H2,1H3
FormulaC9H12FNO2
PubChem ID541491
Molweight185.198
LogP-0.25
Atoms25
Bonds25
H-bond Acceptor3
H-bond Donor3
Chemical ClassificationAmines halogenated compounds alcohols benzenoids

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAspergillus FlavusnanaSpraker et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAspergillus Flavusglucose minimal mediumSPME-GC/MSNo


(3,5-dichloro-4-methoxyphenyl)methanol

Compound Details

Synonymous names
AC1LHVAD
3,5-Dichloroanisylalcohol
AC1Q3M1K
CTK1C6918
ZINC470083
HMS1589F17
AK479270
SCHEMBL2388964
OR273303
3,5-Dichloro-4-methoxybenzyl alcohol
Z-2823
Ambcb7585174
SC-42245
KB-276849
AKOS022959314
(3,5-dichloro-4-methoxyphenyl)methanol
Benzenemethanol, 3,5-dichloro-4-methoxy-
MCULE-9447881358
4892-23-3
Microorganism:

Yes

IUPAC name(3,5-dichloro-4-methoxyphenyl)methanol
SMILESCOC1=C(C=C(C=C1Cl)CO)Cl
InchiInChI=1S/C8H8Cl2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3,11H,4H2,1H3
FormulaC8H8Cl2O2
PubChem ID893589
Molweight207.05
LogP2.26
Atoms20
Bonds20
H-bond Acceptor2
H-bond Donor1
Chemical Classificationhalogenated compounds alcohols benzenoids ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Bjerkandera AdustaSpinnler at al. 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Bjerkandera Adustano


3,5-dichloro-4-methoxybenzaldehyde

Compound Details

Synonymous names
LEEKELDJRCUBEM-UHFFFAOYSA-N
AC1LH820
Z0585
CTK1D5475
3,5-dichloro-4-methoxybenzaldehyde
BBB/893
ARONIS023345
ZINC454532
BBL023378
AK199330
STK188427
SCHEMBL2391793
SBB080367
Q-8046
BB0257358
3,5-dichloro-4-methoxy benzaldehyde
FCH1317939
AB0042700
ZINC00454532
MFCD04070684
ZX-AS004122
ST45052845
ST51009593
KB-179508
TR-043082
AKOS000290660
BB 0257358
MCULE-5459456675
MolPort-000-996-583
Microorganism:

Yes

IUPAC name3,5-dichloro-4-methoxybenzaldehyde
SMILESCOC1=C(C=C(C=C1Cl)C=O)Cl
InchiInChI=1S/C8H6Cl2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-4H,1H3
FormulaC8H6Cl2O2
PubChem ID883207
Molweight205.03
LogP2.74
Atoms18
Bonds18
H-bond Acceptor2
H-bond Donor0
Chemical Classificationhalogenated compounds aldehydes benzenoids ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Anthracophyllum DiscolorSchalchali et al. 2017
Fungi Bjerkandera AdustaSpinnler at al. 1997
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Anthracophyllum Discolorno
Fungi Bjerkandera Adustano


4-chloro-1,2-dimethoxybenzene

Mass-Spectra

Compound Details

Synonymous names
RXJCXGJKJZARAW-UHFFFAOYSA-N
4-CHLOROVERATROLE
AC1L1EI1
AC1Q46VW
3,4-dimethoxy chlorobenzene
ACMC-209dww
V3700
CTK4D2729
A18287
1,2-dimethoxy-4-chlorobenzene
SCHEMBL2127233
4-Chloro-1,2-dimethoxybenzene
OR044152
ZINC2018299
AK-63372
ANW-22302
AJ-32655
DTXSID10168342
SC-48887
4-Chloro-2-methoxyphenol, methyl ether
ZINC02018299
1X-0320
MFCD01741851
1,2-Dimethoxy-4-chloro-benzene
DB-064653
TC-111047
4-Chloro-1,2-dimethoxy-Benzene
AKOS015917179
S01-0871
J-010383
FT-0686813
EN300-39343
Benzene,4-chloro-1,2-dimethoxy-
Benzene, 4-chloro-1,2-dimethoxy
MCULE-1632236513
16766-27-1
MolPort-002-861-038
Microorganism:

Yes

IUPAC name4-chloro-1,2-dimethoxybenzene
SMILESCOC1=C(C=C(C=C1)Cl)OC
InchiInChI=1S/C8H9ClO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
FormulaC8H9ClO2
PubChem ID28048
Molweight172.61
LogP2.26
Atoms20
Bonds20
H-bond Acceptor2
H-bond Donor0
Chemical Classificationhalogenated compounds benzenoids ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi GeniculosporiumWang et al. 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Geniculosporiumno


2-(4-fluoro-1H-imidazol-5-yl)ethanamine

Compound Details

Synonymous names
XUFCIOJVJKPFMV-UHFFFAOYSA-N
4-Fluorohistamine
AC1LBSSI
AKOS006364799
2-(4-fluoro-1H-imidazol-5-yl)ethanamine
2-(4-Fluoro-1H-imidazol-5-yl)ethylamine #
Microorganism:

Yes

IUPAC name2-(4-fluoro-1H-imidazol-5-yl)ethanamine
SMILESC1=NC(=C(N1)CCN)F
InchiInChI=1S/C5H8FN3/c6-5-4(1-2-7)8-3-9-5/h3H,1-2,7H2,(H,8,9)
FormulaC5H8FN3
PubChem ID541569
Molweight129.138
LogP-0.5
Atoms17
Bonds17
H-bond Acceptor2
H-bond Donor2
Chemical Classificationamines imidazoles halogenated compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaHaemophilus Influenzaecould serve as potential biomarkers to distinguish between viruses and bacteriaQader et al., 2015
BacteriaLegionella Pneumophilahumans, respiratory infectionsAbd El Qader et al. 2015
BacteriaMoraxella Catarrhalishumans, respiratory infectionsAbd El Qader et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaHaemophilus Influenzaeblood cultureSPME/GC-MS No
BacteriaLegionella Pneumophilablood culture mediumSPME-GC-MSno
BacteriaMoraxella Catarrhalisblood culture mediumSPME-GC-MSno


1-chloro-4-(trifluoromethyl)benzene

Mass-Spectra

Compound Details

Synonymous names
PARACHLOROBENZOTRIFLUORIDE
para-Chlorotrifluoromethylbenzene
p-Chlorotrifluoromethylbenzene
para-Chlorobenzotrifluoride
4-trifluoromethylchlorobenzene
p-Chlorobenzotrifluoride
p-Trifluoromethylphenyl chloride
4-Chlorobenzotrifluoride
4-chlorotrifluorotoluene
4-chloro trifluoromethylbenzene
4-CHLORO-TRIFLUOROMETHYLBENZENE
4-trifluoromethyl chlorobenzene
QULYNCCPRWKEMF-UHFFFAOYSA-N
p-chloro benzotrifluoride
P-chloro trifluorotoluene
(p-Chlorophenyl)trifluoromethane
p-(Trifluoromethyl)chlorobenzene
p-chloro(trifluoromethyl)benzene
PCBTF
4-chloro benzotrifluoride
4-chloro-benzotrifluoride
4-(TRIFLUOROMETHYL)CHLOROBENZENE
para-Chloro-alpha,alpha,alpha-trifluorotoluene
AC1L1ONV
AC1Q4JPO
p-Chloro-alpha,alpha,alpha-trifluorotoluene
1-chloro-4-trifluoromethylbenzene
1-trifluoromethyl-4-chlorobenzene
P-(TRIFLUOROMETHYL) CHLOROBENZENE
4-Chloro-alpha,alpha,alpha-trifluorotoluene
AC1Q4J4D
alpha,alpha,alpha-Trifluoro-4-chlorotoluene
PubChem5435
I338
4-Chlorobenzotrifluoride, 98%
p-Chloro-a,a,a-trifluorotoluene
694YO34JHC
CCRIS 720
CTK7B6679
OXSOL 100
AM87507
AS01028
NE10044
NSC10309
PF10106
RP24184
SCHEMBL196588
1-(Trifluoromethyl)-4-chlorobenzene
1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE
4-chloro-1-(trifluoromethyl)benzene
4-Chloro-a,a,a-trifluorotoluene
HSDB 4251
UNII-694YO34JHC
AKOS AKM00343
BC226813
CHEMBL1797001
DTXSID7024821
LS-2047
OR045698
OR167957
SBB089721
STL268887
DSSTox_CID_4821
ZINC1706164
1-chloro-4-(trimethyl)benzene
AC-10097
AJ-30635
AK-48636
DSSTox_GSID_24821
NSC 10309
NSC-10309
PARAGOS 500052
SC-07507
ST2401893
Toluene, p-chloro-alpha,alpha,alpha-trifluoro-
DSSTox_RID_77542
MFCD00000627
ZINC01706164
1-chloro-4-(trifluoromethyl)-benzen
ST50406272
TR-032781
AKOS005067495
p-Chloro-.alpha.,.alpha.-trifluorotoluene
W-100075
BRN 0510203
FT-0081711
FT-0618189
4-Chloro-.alpha.,.alpha.-trifluorotoluene
98-56-6
benzene,1-chloro-4-(trifluoromethyl)-
EN300-20053
Tox21_201445
Tox21_303261
4-Chlorobenzotrifluoride, 98% 100g
CAS-98-56-6
Benzene, 1-chloro-4-(trifluoromethyl)-
MCULE-5127899268
NCGC00091724-01
NCGC00091724-02
NCGC00091724-03
NCGC00257114-01
NCGC00258996-01
EINECS 202-681-1
92709-16-5
p-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene
N-(2,4-dimethylphenyl)-3-hydroxy-naphthalene-2-carboxamide
MolPort-000-152-722
4-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene
Toluene, p-chloro-.alpha.,.alpha.,.alpha.-trifluoro-
InChI=1/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4
Microorganism:

Yes

IUPAC name1-chloro-4-(trifluoromethyl)benzene
SMILESC1=CC(=CC=C1C(F)(F)F)Cl
InchiInChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
FormulaC7H4ClF3
PubChem ID7394
Molweight180.55
LogP3.46
Atoms15
Bonds15
H-bond Acceptor0
H-bond Donor0
Chemical Classificationhalogenated compounds benzenoids

mVOC Specific Details

Volatilization
The Henry's Law constant for 1-chloro-4-(trifluoromethyl)benzene is estimated as 3.5X10-2 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1-chloro-4-(trifluoromethyl)benzene is expected to volatilize rapidly 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 4 hours(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 5 days(SRC). 1-Chloro-4-(trifluoromethyl)benzene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Chloro-4-(trifluoromethyl)benzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 7.63 mm Hg(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) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Vol. 3 New York, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1-chloro-4-(trifluoromethyl)benzene can be estimated to be 1600(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-chloro-4-(trifluoromethyl)benzene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from, as of Sept 20, 2010: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
7.63 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiArmillaria Mellean/aMueller et al., 2013
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPholiota Squarrosan/aMueller et al., 2013
FungiVerticillium Longisporumn/aMueller et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS


Chlorobenzene

Mass-Spectra

Compound Details

Synonymous names
chloranylbenzene
Monochloorbenzeen
Monochlorbenzene
Monochlorobenzene
Monochlorobenzol
Monoclorobenzene
Monochlorbenzol
Chloorbenzeen
Chlorbenzene
Chlorobenzen
CHLOROBENZENE
Chlorobenzenu
Chlorobenzol
Clorobenzene
Chlorbenzol
Chlorinated benzenes
Chlorobenzene Mono
MVPPADPHJFYWMZ-UHFFFAOYSA-N
Benzene chloride
Chlorobenzene, analytical standard
Phenyl chloride
chloro benzene
chloro-benzene
PhCl
Benzene, chlorinated
MCB
Tetrosin SP
1-chlorobenzene
3-chlorobenzene
4-chlorobenzene
CHLOROBENZENE, ACS
8CL
AC1L1PYI
Chlorobenzene, HPLC Grade
Monochloorbenzeen [Dutch]
Monoclorobenzene [Italian]
Benzene,chloro-
Monochlorbenzol [German]
Chloorbenzeen [Dutch]
Chlorobenzen [Polish]
CHLOROBENZENE- D5
Chlorobenzene, pharmaceutical secondary standard; traceable to USP
Chlorobenzenu [Czech]
Clorobenzene [Italian]
4-chloro-benzene
Abluton T30
Chlorobenzene, mono-
ACMC-1BUC8
SCHEMBL2044
Benzene, chloro-
HSDB 55
PHENYL, CHLORO-
WLN: GR
Benzene, chloro derivs.
CHEMBL16200
CP 27
LS-18
NSC8433
UN1134
C1948
S0645
X5840
BIDD:ER0289
RP19079
bmse001030
C06990
CCRIS 1357
DSSTox_CID_298
K18102WN1G
ZINC896527
Chlorobenzene, LR, >=99%
DTXSID4020298
IP Carrier T 40
NSC 8433
NSC-8433
OR000352
OR204438
OR260870
OR260871
OR327460
SBB040899
STL282731
UN 1134
ZB015093
A801940
CHEBI:28097
NCI-C54886
PHENYL, 2-CHLORO-
PHENYL, 3-CHLORO-
UNII-K18102WN1G
AN-42914
ANW-15992
Caswell No. 183A
DSSTox_GSID_20298
KB-76052
SC-22605
TRA0015176
TRA0100646
DSSTox_RID_75497
MFCD00000530
ZINC00896527
AI3-07776
Chlorobenzene, anhydrous, 99.8%
Chlorobenzene, ReagentPlus(R), 99%
I P Carrier T 40
RTR-002006
ST50214500
TR-002006
AKOS000120122
EPA Pesticide Chemical Code 056504
I01-1941
J-002203
J-520025
RCRA waste no. U037
Chlorobenzene, ACS reagent, >=99.5%
Chlorobenzene, AR, >=99.5%
FT-0615503
FT-0623633
FT-0652436
FT-0657623
Chlorobenzene, UV HPLC spectroscopic, 99.5%
Chlorobenzene, SAJ special grade, >=99.5%
Tox21_201223
108-90-7
Chlorobenzene, for HPLC, 99.9%
Chlorobenzene, SAJ first grade, >=99.0%
F0001-0183
Chlorobenzene [UN1134] [Flammable liquid]
CHLOROBENZENE,99.5%,EXTRA DRY OVER MOLECULAR SIEVE,ACROSEAL(R)
MCULE-2469021740
NCGC00091678-01
NCGC00091678-02
NCGC00258775-01
CAS-108-90-7
EINECS 203-628-5
EINECS 270-127-6
50717-45-8
68411-45-0
Chlorobenzene [UN1134] [Flammable liquid]
EC 203-628-5
Chlorobenzene, p.a., 99.5%
5773-EP2269986A1
5773-EP2269990A1
5773-EP2269995A1
5773-EP2270004A1
5773-EP2270101A1
5773-EP2270113A1
5773-EP2272813A2
5773-EP2272832A1
5773-EP2272849A1
5773-EP2272935A1
5773-EP2274983A1
5773-EP2275395A2
5773-EP2275403A1
5773-EP2275407A1
5773-EP2275409A1
5773-EP2275411A2
5773-EP2275469A1
5773-EP2279750A1
5773-EP2280001A1
5773-EP2280005A1
5773-EP2281817A1
5773-EP2281821A1
5773-EP2284165A1
5773-EP2284174A1
5773-EP2286811A1
5773-EP2287155A1
5773-EP2287167A1
5773-EP2287940A1
5773-EP2289509A2
5773-EP2289868A1
5773-EP2289884A1
5773-EP2289890A1
5773-EP2289965A1
5773-EP2292592A1
5773-EP2292597A1
5773-EP2292606A1
5773-EP2295414A1
5773-EP2295425A1
5773-EP2295426A1
5773-EP2295427A1
5773-EP2298729A1
5773-EP2298735A1
5773-EP2298745A1
5773-EP2298746A1
5773-EP2298755A1
5773-EP2298756A1
5773-EP2298763A1
5773-EP2298768A1
5773-EP2298770A1
5773-EP2298828A1
5773-EP2301918A1
5773-EP2301924A1
5773-EP2301934A1
5773-EP2301983A1
5773-EP2305649A1
5773-EP2305658A1
5773-EP2305667A2
5773-EP2305673A1
5773-EP2305675A1
5773-EP2305682A1
5773-EP2308838A1
5773-EP2308849A1
5773-EP2308850A1
5773-EP2308857A1
5773-EP2308879A1
5773-EP2308882A1
5773-EP2308926A1
5773-EP2309564A1
5773-EP2309584A1
5773-EP2311804A2
5773-EP2311808A1
5773-EP2311809A1
5773-EP2311811A1
5773-EP2311813A1
5773-EP2311829A1
5773-EP2311834A1
5773-EP2314558A1
5773-EP2314574A1
5773-EP2314577A1
5773-EP2314581A1
5773-EP2371808A1
5773-EP2371831A1
5773-EP2374783A1
5773-EP2374895A1
5773-EP2377610A2
5773-EP2377611A2
5773-EP2377841A1
5773-EP2380568A1
MolPort-000-872-062
37376-EP2311802A1
37376-EP2311803A1
77825-EP2272846A1
77825-EP2277868A1
77825-EP2277869A1
77825-EP2277870A1
77825-EP2284166A1
77825-EP2292608A1
77825-EP2295436A1
77825-EP2298749A1
77825-EP2298769A1
77825-EP2308866A1
77825-EP2371806A1
77825-EP2371807A1
77825-EP2374784A1
77825-EP2374785A1
Chlorobenzene, anhydrous, ZerO2(TM), 99.8%
152544-EP2269986A1
152544-EP2289896A1
152544-EP2289897A1
152544-EP2371831A1
Chlorobenzene, ACS, 99.5% min. 500ml
Chlorobenzene, puriss. p.a., ACS reagent, >=99.5% (GC)
InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5
Chlorobenzene, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC)
Microorganism:

Yes

IUPAC namechlorobenzene
SMILESC1=CC=C(C=C1)Cl
InchiInChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
FormulaC6H5Cl
PubChem ID7964
Molweight112.56
LogP2.58
Atoms12
Bonds12
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkane benzenoids halogenated compounds

mVOC Specific Details

Volatilization
The measured Henry's Law constant for chlorobenzene is 3.11X10-3 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that chlorobenzene is expected to volatilize rapidly 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 3.4 hours(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 4.3 days(SRC). Chlorobenzene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Chlorobenzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 12 mm Hg(3). Chlorobenzene applied to soil at a uniform concentration of 1 kg/ha at depths of 1 cm and 10 cm underwent 86.5 and 23.4% loss, respectively, in a day; volatilization half-lives of 0.3 and 12.6 days, respectively, were estimated from this data(4). Volatilization half-lives of 13, 21, and 4.6 days were estimated for chlorobenzene using data obtained from an experimental marine mesocosm under simulated winter, spring, and summer conditions, respectively(5). Chlorobenzene was removed within 8 days in sterile pond water incubated in bottles open to the atmosphere(6). Volatilization rates of chlorobenzene from the wastewater-dependent constructed Tres Rios Demonstration Wetlands near Phoenix, AZ ranged from 5.11X10-6 to 8.48X10-6 sec-1, corresponding to a half-life of approximately 9 hours(7). In a closed aerated laboratory system simulating arable soil exposed to 14-C radio-labeled chlorobenzene, analysis of trapped 14-CO2 and 14-C chlorobenzene gas indicated that volatilization was the main loss mechanism with mineralization having minor importance(8).
Literature: (1) Shiu WY, Mackay D; J Chem Eng Data 42: 27-30 (1997) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng., New York, NY: Hemisphere Pub Corp, Vol 3 (1987) (4) Jury WA et al; J Environ Qual 13: 572-9 (1984) (5) Wakeham SG et al; Environ Sci Technol 17: 611-7 (1983) (6) Bouwer EJ; J Environ Eng 115: 741-55 (1989) (7) Keefe SH et al; Environ Sci Technol 38: 2209-26 (2004) (8) Brahushi F et al; Fresenius Environmental Bulletin 11(9a): 599-604 (2002)
Soil Adsorption
Koc values of 313.1 and 146.5 were measured on Captina silt loam (1.49% organic carbon) and McLaurin sandy loam, (0.66% organic carbon), respectively(1). Equilibrium sorption constant (Ks) values of 0.295 and 0.09 were determined in Eustis fine sand (13 g/kg clay, 32 g/kg silt, 955 g/kg sand, 3.9 g/kg organic carbon) and Tampa (6 g/kg clay, 23 g/kg silt, 971 g/kg sand, and 1.3 g/kg organic carbon) soils, respectively(2); corresponding Koc values are 76 and 69(SRC). Equilibrium sorption coefficients of 0.014 and 10.20 were measured on Borden (98% sand, 1% silt, 1% clay, 0.29% organic carbon) and Mt. Lemmon (60.3% sand, 24.0% silt, 15.7% clay, 12.6% organic carbon) soils, respectively(3); corresponding Koc values are 4.8 and 81(SRC). According to a classification scheme(4), these Koc values suggest that chlorobenzene is expected to have moderate to very high mobility in soil(SRC). The sorption isotherm for chlorobenzene onto muck soil (49.0% organic carbon) was linear(5). A Kd value of 166.34 was measured for chlorobenzene using dewatered activated sludge (18% solids) that had been dried and sieved; 3.28% of the chlorobenzene was desorbed during the desorption phase of the experiment(6). Partition coefficients of 0.35, 0.33, and 0.38 were measured for chlorobenzene on primary sludge, mixed liquor solids, and digested sludge, respectively(7). Sorption coefficients of 0.48 and 0.29 were measured on primary sludge and anaerobically digested sludge, respectively(8). Partition coefficients of 48 and 29 were measured in high organic carbon (14.5%) and low organic carbon (3.6%) Sherman Island sediments, respectively(9).
Literature: (1) Walton BT et al; J Environ Qual 21: 552-8 (1992) (2) Brusseau ML; Environ Toxicol Chem 12: 1835-46 (1993) (3) Hu Q et al; Environ Toxicol Chem 14: 1133-40 (1995) (4) Swann RL et al; Res Rev 85: 23 (1983) (5) Sheng G et al; Environ Sci Technol 30: 1553-7 (1996) (6) Selvakumar A, Hsieh HN; Int J Environ Stud 30: 313-9 (1987) (7) Dobbs RA et al; Int Conf Innovative Biol Treat Toxic Wastewaters; Scholze, RJ Jr, eds; pp 585-601 (1987) (8) Dobbs RA et al; Environ Sci Technol 23: 1092-7 (1989) (9) Knezovich JP, Harrison FL; Ecotoxicol Environ Safety 15: 226-41 (1988)
Vapor Pressure
PressureReference
12.0 mm Hg at 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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Fungivorans Ter331Headspace trapping/GC-MS
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo