Results for:
chemical Classification: bromides

1-bromo-2-methylpropane

Mass-Spectra

Compound Details

Synonymous names
1-Bromo-2-methylpropane
78-77-3
ISOBUTYL BROMIDE
iso-Butyl bromide
Propane, 1-bromo-2-methyl-
1-Bromo-2-methyl-propane
i-Butyl bromide
Bromoacetaldehydedimethylacetal
5OEC0BW987
DTXSID1052539
NSC-8416
MFCD00000217
Bromoisobutane
CCRIS 349
2-methylpropyl bromide
NSC 8416
EINECS 201-141-2
isobutylbromid
isobutylbromide
UNII-5OEC0BW987
i-butylbromide
iso-butylbromide
isobutyl-bromide
AI3-18130
i-BuBr
2-methylbromopropane
2-methylpropylbromide
iso-C4H9Br
2-methyl bromopropane
1-bromo-2methylpropane
1-bromo-2-methylpropan
l-bromo-2-methylpropane
3-bromo-2-methylpropane
1 -bromo-2-methylpropane
1-bromo 2-methyl propane
1-bromo-2-methyl propane
EC 201-141-2
SCHEMBL7399
ISOBUTYL BROMIDE [MI]
2-Bromo-1,1-Dimethyl Ethane
CHEMBL346532
DTXCID2031112
1-Bromo-2-methylpropane, 99%
WLN: E1Y1&1
NSC8416
AMY25783
BCP21482
Tox21_303878
BBL036259
STL264117
AKOS000118762
MCULE-6039420480
PB48146
UN 2342
CAS-78-77-3
NCGC00357138-01
VS-13394
A9430
B0616
NS00006245
EN300-19287
P19652
J-504405
Q15632844
F1908-0100
InChI=1/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H
Microorganism:

Yes

IUPAC name1-bromo-2-methylpropane
SMILESCC(C)CBr
InchiInChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3
FormulaC4H9Br
PubChem ID6555
Molweight137.02
LogP2.3
Atoms5
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationhalogenated compounds bromides

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces Sp.NAJones et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces Sp.YPD agarGCxGC-TOFMSno


1,2,3,4-tetrabromobutane

Compound Details

Synonymous names
1,2,3,4-TETRABROMOBUTANE
1529-68-6
Tetrabromobutane
Fireguard 5000
Butane, 1,2,3,4-tetrabromo-
Fire guard 5000
NSC 505
Butane,1,2,3,4-tetrabromo-
EINECS 216-221-2
BRN 1735732
AI3-19832
1,3,4-Tetrabromobutane
Butane,2,3,4-tetrabromo-
1-01-00-00039 (Beilstein Handbook Reference)
SCHEMBL342085
NSC505
DTXSID30883686
NSC-505
AKOS015915034
DB-043168
NS00044448
A809367
J-503749
InChI=1/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H
Microorganism:

No

IUPAC name1,2,3,4-tetrabromobutane
SMILESC(C(C(CBr)Br)Br)Br
InchiInChI=1S/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2
FormulaC4H6Br4
PubChem ID15221
Molweight373.71
LogP3.4
Atoms8
Bonds3
H-bond Acceptor0
H-bond Donor0
Chemical Classificationhalogenated compounds bromides

mVOC Specific Details

Vapor Pressure
PressureReference
0.00672

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


4-bromo-1H-pyrazole

Compound Details

Synonymous names
4-Bromo-1H-pyrazole
4-Bromopyrazole
2075-45-8
1H-Pyrazole, 4-bromo-
PYRAZOLE, 4-BROMO-
4-Brompyrazole
4-bromo-pyrazole
MFCD00075602
NSC-522023
4-Bromopyrazole; NSC 522023
NSC 522023
BRN 0106510
4-bromo pyrazole
BYZ
JCB5VB9RTA
4-Bromo-1-H-pyrazole
4-Bromopyrazole, 99%
WLN: T5MNJ DE
SCHEMBL10169
5-23-04-00172 (Beilstein Handbook Reference)
CHEMBL4440111
DTXSID50174826
ALBB-000287
AMY12221
NSC522023
STK301300
AKOS000304500
AB02892
AC-2709
AS-5543
CS-W009265
BP-21496
HY-78243
SY002635
DB-262940
A4505
AM20090168
B3745
EN300-50991
AC-907/25014004
J-013590
Q27458577
F0001-0740
Z275169750
Microorganism:

No

IUPAC name4-bromo-1H-pyrazole
SMILESC1=C(C=NN1)Br
InchiInChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
FormulaC3H3BrN2
PubChem ID16375
Molweight146.97
LogP0.3
Atoms6
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationpyrazoles nitrogen compounds heterocyclic compounds halogenated compounds bromides

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


11-bromoundecan-1-ol

Compound Details

Synonymous names
11-Bromo-1-undecanol
1611-56-9
11-Bromoundecan-1-ol
11-Bromoundecanol
1-Undecanol, 11-bromo-
1-Bromo-11-hydroxyundecane
11-Bromoundecyl Alcohol
MFCD00004752
11-Bromo-1-hydroxyundecane
NSC-4029
Undecamethylene bromohydrin
C11H23BrO
NSC4029
EINECS 216-554-3
11-bromo-l-undecanol
1-Bromo-11-undecanol
11-bromoundecane-1-ol
omega-Bromoundecyl alcohol
11-Bromoundecanyl alcohol
P686BA4MWG
11-?Bromo-?1-?undecanol
SCHEMBL290960
11-Bromo-1-undecanol, 98%
DTXSID00167061
NSC 4029
AKOS015836181
AM84536
CS-W014623
MCULE-5881088914
AS-15413
SY011480
B1477
NS00025257
A51044
EN300-179511
11-Bromo-1-undecanol, purum, >=99.0% (AT)
A810234
J-504143
Microorganism:

Yes

IUPAC name11-bromoundecan-1-ol
SMILESC(CCCCCO)CCCCCBr
InchiInChI=1S/C11H23BrO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2
FormulaC11H23BrO
PubChem ID74163
Molweight251.2
LogP5.2
Atoms13
Bonds10
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols bromides halogenated compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


2-bromooctane

Compound Details

Synonymous names
2-Bromooctane
557-35-7
Octane, 2-bromo-
sec-Octyl bromide
2-Octyl bromide
1-Methylheptyl bromide
2-Bromoooctane
K51199TJ7S
NSC-8060
MFCD00040823
2-bromo OCTANE
sec-Octyl bromide (VAN)
UNII-K51199TJ7S
2-bromo-octane
1-bromoethylhexane
NSC 8060
EINECS 209-171-8
(+/-)-sec-octyl bromide
60251-57-2
SCHEMBL598655
SEC-OCTYL BROMIDE [MI]
(+/-)-2-BROMOOCTANE
DTXSID90880631
NSC8060
STL453679
Octane, 2-bromo-, (.+/-.)-
AKOS009156594
SEC-OCTYL BROMIDE, (+/-)-
MCULE-1528804584
2-Bromooctane (contains 3-Bromooctane)
AS-13085
SY053213
B1347
CS-0182749
NS00043679
F21283
A830778
J-508531
Q27281969
InChI=1/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H
Microorganism:

Yes

IUPAC name2-bromooctane
SMILESCCCCCCC(C)Br
InchiInChI=1S/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3
FormulaC8H17Br
PubChem ID79046
Molweight193.12
LogP4.3
Atoms9
Bonds5
H-bond Acceptor0
H-bond Donor0
Chemical Classificationhalogenated compounds bromides

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


2,6-dibromonaphthalene-1,5-diol

Compound Details

Synonymous names
2,6-Dibromonaphthalene-1,5-diol
84-59-3
2,6-Dibromo-1,5-dihydroxynaphthalene
2,6-Dibromo-1,5-naphthalenediol
1,5-Naphthalenediol, 2,6-dibromo-
1,5-Dihydroxy-2,6-dibromonaphthalene
D3BHJ6NH78
MFCD00021473
NSC-62684
EINECS 201-543-8
NSC 62684
NSC62684
1, 2,6-dibromo-
UNII-D3BHJ6NH78
SCHEMBL2367986
DTXSID00232889
WLN: L66J BQ CE GQ HE
STK378142
AKOS003602218
2,6-bis(bromanyl)naphthalene-1,5-diol
2,6-dibromo-1,5-di hydroxynaphthalene
2,6-dibromo-1,5-dihydroxy naphtha-lene
BS-44028
SY056250
DB-010905
CS-0157296
D2593
NS00038562
D85425
A840871
Microorganism:

No

IUPAC name2,6-dibromonaphthalene-1,5-diol
SMILESC1=CC(=C(C2=C1C(=C(C=C2)Br)O)O)Br
InchiInChI=1S/C10H6Br2O2/c11-7-3-1-5-6(10(7)14)2-4-8(12)9(5)13/h1-4,13-14H
FormulaC10H6Br2O2
PubChem ID96260
Molweight317.96
LogP3.8
Atoms14
Bonds0
H-bond Acceptor2
H-bond Donor2
Chemical Classificationphenols halogenated compounds bromides benzenoids aromatic compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


12-bromododecan-1-ol

Compound Details

Synonymous names
12-Bromo-1-dodecanol
12-bromododecan-1-ol
3344-77-2
12-bromododecanol
BROMO-DODECANOL
12-Bromo-dodecan-1-ol
1-Dodecanol, 12-bromo-
L7CYF0086V
DTXSID1049273
MFCD00004754
BDD
UNII-L7CYF0086V
1n8u
1n8v
C12H25BrO
12-hydroxy-1-bromododecane
SCHEMBL531310
12-Bromo-1-dodecanol, 99%
CHEMBL1231267
DTXCID6029129
AMY6316
Tox21_202822
BBL100381
STL554175
AKOS015836180
DB02619
MCULE-1748500310
NCGC00260368-01
AS-10236
PD007816
SY019468
CAS-3344-77-2
12-bromododecan-1-ol;12-Bromo-1-dodecanol
B1731
CS-0158375
NS00068952
EN300-87131
A12981
J-019189
Q27093585
Z1259040916
Microorganism:

Yes

IUPAC name12-bromododecan-1-ol
SMILESC(CCCCCCBr)CCCCCO
InchiInChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2
FormulaC12H25BrO
PubChem ID137895
Molweight265.23
LogP5.5
Atoms14
Bonds11
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols bromides halogenated compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


Ethyl 8-bromooctanoate

Compound Details

Synonymous names
Ethyl 8-bromooctanoate
29823-21-0
8-Bromooctanoic acid ethyl ester
Ethyl 8-bromoocatanoate
8-Bromo-octanoic acid ethyl ester
Ethyl-8-bromooctanoate
8-Caprylic acid ethyl ester
8-bromocaprylic acid ethyl ester
MFCD00045057
Octanoic acid, 8-bromo-, ethyl ester
ETHYL omega-BROMOOCTANOATE
8-Bromocaprylic Acid Ethyl Ester; 8-Bromooctanoic Acid Ethyl Ester; NSC 100182;
Ethyl8-bromooctanoate
ethyl 8-bromo-octanoate
Ethyl 8-bromooctanoate #
NCIOpen2_007067
SCHEMBL1065692
DTXSID10295187
8-Bromooctanoic acid, ethyl ester
CS-D1735
NSC100182
AKOS015836156
GS-3515
NSC 100182
NSC-100182
SY031617
DB-047658
AM20090396
A19467
EN300-7380212
J-017660
Microorganism:

Yes

IUPAC nameethyl 8-bromooctanoate
SMILESCCOC(=O)CCCCCCCBr
InchiInChI=1S/C10H19BrO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h2-9H2,1H3
FormulaC10H19BrO2
PubChem ID264813
Molweight251.16
LogP3.3
Atoms13
Bonds9
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbromides esters halogenated compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one

Compound Details

Synonymous names
Halofuginone
(+)-Halofuginone
Halocur
Halofuginone, (+)-
55837-20-2
6-Chloro-7-bromo-(+)-febrifugine
Halofuginon
Halofuginonum
H84E4Y7HC9
L31MM1385E
(+/-)-trans-7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidyl)-acetonyl)-4(3H)-quinazolinone
Halofuginone [INN:BAN]
7-Bromo-6-chloro-3-(3-((2R,3S)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-4(3H)-quinazolinone
868851-54-1
Halofunginone
7-Bromo-6-Chloro-3-{3-[(2r,3s)-3-Hydroxypiperidin-2-Yl]-2-Oxopropyl}quinazolin-4(3h)-One
4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-((2R,3S)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-
rel-7-Bromo-6-chloro-3-(3-((2R,3S)-3-hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one
NSC713205
HALOFUGINONE [INN]
Halofuginonum [INN-Latin]
Halofuginona [INN-Spanish]
UNII-L31MM1385E
HalocurTM
HT-100
7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one
HFG
HALOFUGINONE [MI]
UNII-H84E4Y7HC9
SCHEMBL9541147
CHEMBL1199540
7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxopropyl]-4(3H)-Quinazolinone
DTXSID301339439
s8144
AKOS022185424
CCG-268823
DB04866
(+-)-trans-7-Brom-6-chlor-3-(3-(3-hydroxy-2-piperidyl)acetonyl-4(3H)-chinazolinon
(+-)-trans-7-Bromo-6-chloro-3-(3-(3-hydroxy-2-piperidyl)acetonyl-4(3H)-quinazolinone
7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
trans-7-Bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-4(3H)-quinazolinone
4(3H4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, trans-(+/-)-
HALOFUGINONE [EMA EPAR VETERINARY]
rel-7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-4(3H)-quinazolinone
NS00017223
Q4132745
(+/-)-trans-7-Bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-4(3H)-quinazolinone hydrobromide
4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-((2R,3S)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-, rel-
4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, trans-
4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, trans-(+-)-
4(3H)-QUINAZOLINONE, 7-BROMO-6-CHLORO-3-(3-(3-HYDROXY-2-PIPERIDINYL)-2-OXOPROPYL)-, TRANS-(+/-)-
7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}-3,4-dihydroquinazolin-4-one
Microorganism:

Yes

IUPAC name7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
SMILESC1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O
InchiInChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1
FormulaC16H17BrClN3O3
PubChem ID456390
Molweight414.7
LogP1.4
Atoms24
Bonds4
H-bond Acceptor5
H-bond Donor2
Chemical Classificationamines quinazolines alcohols aromatic compounds halogenated compounds benzenoids bromides chlorides heterocyclic compounds ketones nitrogen compounds
Supernatural-IDSN0216206-01

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia ArborisNANAZhu et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia Arborisnutrient agar (NA) mediumUPLC-QTOF/MSno


2-bromoethyl Benzoate

Compound Details

Synonymous names
2-Bromoethyl benzoate
939-54-8
2-bromoethylbenzoate
Benzoic acid 2-bromoethyl ester
MFCD00059462
Bromoethyl Benzoate
beta-Bromoethyl benzoate
72PB6FLV4E
2-Bromoethyl benzoate, 98%
SCHEMBL561869
Ethanol, 2-bromo-, 1-benzoate
KNBBDZULQFKSIE-UHFFFAOYSA-
2-Bromoethyl Benzoate (~90%)
DTXSID30335150
AKOS005203196
BS-22296
SY052379
B0065
CS-0156543
InChI=1/C9H9BrO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
Microorganism:

Yes

IUPAC name2-bromoethyl benzoate
SMILESC1=CC=C(C=C1)C(=O)OCCBr
InchiInChI=1S/C9H9BrO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
FormulaC9H9BrO2
PubChem ID523090
Molweight229.07
LogP2.6
Atoms12
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters benzenoids bromides aromatic compounds halogenated compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1-(4-bromobutyl)piperidin-2-one

Compound Details

Synonymous names
1-(4-Bromobutyl)-2-piperidinone
1-(4-bromobutyl)piperidin-2-one
2-Piperidinone, N-[4-bromo-n-butyl]-
SCHEMBL7625589
1-(4-bromobutyl)-2-piperidone
CHEBI:88062
1-(4-Bromobutyl)-2-piperidinone #
N-[4-bromo-n-butyl]-2-piperidinone
Q27160031
195194-80-0
Microorganism:

Yes

IUPAC name1-(4-bromobutyl)piperidin-2-one
SMILESC1CCN(C(=O)C1)CCCCBr
InchiInChI=1S/C9H16BrNO/c10-6-2-4-8-11-7-3-1-5-9(11)12/h1-8H2
FormulaC9H16BrNO
PubChem ID536377
Molweight234.13
LogP1.4
Atoms12
Bonds4
H-bond Acceptor1
H-bond Donor0
Chemical Classificationlactames amides bromides heterocyclic compounds halogenated compounds nitrogen compounds
CHEBI-ID88062
Supernatural-IDSN0261254

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces ThermocarboxydusNANAPassari et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces Thermocarboxydusactinomycetes isolation agar (AIA)GC-MSno


1,54-dibromotetrapentacontane

Compound Details

Synonymous names
1,54-Dibromotetrapentacontane
Tetrapentacontane, 1,54-dibromo-
852228-22-9
1,54-dibromo tetrapentacontane
1,54-Dibromotetrapentacontane #
DTXSID80873254
MYKPFQFCUJYEOQ-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC name1,54-dibromotetrapentacontane
SMILESC(CCCCCCCCCCCCCCCCCCCCCCCCCCCBr)CCCCCCCCCCCCCCCCCCCCCCCCCCBr
InchiInChI=1S/C54H108Br2/c55-53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-4
FormulaC54H108Br2
PubChem ID545963
Molweight917.2
LogP29.2
Atoms56
Bonds53
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbromides halogenated compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


Ethyl 10-bromodecanoate

Compound Details

Synonymous names
Ethyl 10-bromodecanoate
55099-31-5
10-Bromo-decanoic acid ethyl ester
MFCD01112172
ethyl 10-bromo-decanoate
Ethyl 10-bromodecanoate #
SCHEMBL1703446
DTXSID90339972
10-Bromodecanoic Acid Ethyl Ester
10-Bromodecanoic acid, ethyl ester
AKOS016034710
AB92452
BP-29669
BS-17125
SY054288
DB-319297
B2265
CS-0001454
T71050
Microorganism:

Yes

IUPAC nameethyl 10-bromodecanoate
SMILESCCOC(=O)CCCCCCCCCBr
InchiInChI=1S/C12H23BrO2/c1-2-15-12(14)10-8-6-4-3-5-7-9-11-13/h2-11H2,1H3
FormulaC12H23BrO2
PubChem ID560452
Molweight279.21
LogP4.4
Atoms15
Bonds11
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbromides esters halogenated compounds
Supernatural-IDSN0401849

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


3-phenylpropanoyl Bromide

Compound Details

Synonymous names
3-Phenylpropanoyl bromide
1-Bromo-3-phenyl-1-propanone
10500-29-5
Hydrocinnamoyl bromide
Benzenepropanoyl bromide
3-Phenylpropionyl bromide
3-Phenylpropanoyl bromide #
SCHEMBL9717300
KNNKTMOYEUWZNP-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC name3-phenylpropanoyl bromide
SMILESC1=CC=C(C=C1)CCC(=O)Br
InchiInChI=1S/C9H9BrO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
FormulaC9H9BrO
PubChem ID561997
Molweight213.07
LogP2.9
Atoms11
Bonds3
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids aromatic compounds halogenated compounds bromides

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces ThermocarboxydusNANAPassari et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces Thermocarboxydusactinomycetes isolation agar (AIA)GC-MSno


4-bromo-2-chloroaniline

Compound Details

Synonymous names
4-Bromo-2-chloroaniline
38762-41-3
2-Chloro-4-bromoaniline
Benzenamine, 4-bromo-2-chloro-
4-Bromo-2-chloro-phenylamine
4-bromo-2-chlorophenylamine
MFCD00007660
4-bromo-2-chloro-aniline
4-Bromo-2-chlorobenzenamine
2-chloro4-bromoaniline
4-Brom-2-chlor-anilin
4-bromo-2-chlorophenylarnine
Aniline, 4-bromo-2-chloro-
SCHEMBL160438
4-Bromo-2-chloroaniline, 98%
DTXSID401027990
STR08116
BBL035749
STL087632
AKOS000114241
AC-4438
CS-W020030
MCULE-5433730477
PS-3215
SB78172
A6540
AM20061090
B1993
NS00060424
EN300-20801
W-109024
F0001-1100
Z104482600
InChI=1/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H
Microorganism:

Yes

IUPAC name4-bromo-2-chloroaniline
SMILESC1=CC(=C(C=C1Br)Cl)N
InchiInChI=1S/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
FormulaC6H5BrClN
PubChem ID610169
Molweight206.47
LogP3
Atoms9
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamines bromides benzenoids halogenated compounds aromatic compounds chlorides nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


4-[(5-bromothiophen-2-yl)methylideneamino]benzamide

Compound Details

Synonymous names
Benzamide, 4-(5-bromo-2-thenylidenamino)-
315670-80-5
4-{[(5-bromo-2-thienyl)methylene]amino}benzamide
4-[[(5-bromo-2-thienyl)methylene]amino]Benzamide
CBDivE_015994
4-[(5-bromothiophen-2-yl)methylideneamino]benzamide
FJVRMIXZEQOKER-VIZOYTHASA-N
STK016817
AKOS000488106
AN-329/10003058
SR-01000199501
SR-01000199501-1
4-([(E)-(5-Bromo-2-thienyl)methylidene]amino)benzamide #
4-{[(E)-(5-bromothiophen-2-yl)methylidene]amino}benzamide
Microorganism:

No

IUPAC name4-[(5-bromothiophen-2-yl)methylideneamino]benzamide
SMILESC1=CC(=CC=C1C(=O)N)N=CC2=CC=C(S2)Br
InchiInChI=1S/C12H9BrN2OS/c13-11-6-5-10(17-11)7-15-9-3-1-8(2-4-9)12(14)16/h1-7H,(H2,14,16)
FormulaC12H9BrN2OS
PubChem ID628250
Molweight309.18
LogP3.1
Atoms17
Bonds3
H-bond Acceptor3
H-bond Donor1
Chemical Classificationamides aromatic compounds benzenoids bromides halogenated compounds heterocyclic compounds imines nitrogen compounds sulfur compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] Acetate

Compound Details

Synonymous names
3-Hydroxyphenazepam Acetate
7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate
70030-10-3
ZINC00970070
Oprea1_550210
MLS001012264
CHEMBL1517541
WFNOHKYMHSJTSM-UHFFFAOYSA-N
HMS2780L19
STK862143
AKOS002312870
AKOS016116821
SMR000425068
2H-1,4-Benzodiazepin-2-one, 3-(acetyloxy)-7-bromo-5-(2-chlorophenyl)-1,3-dihydro-
7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate #
Acetic acid 7-bromo-5-(2-chloro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester
Microorganism:

No

IUPAC name[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
SMILESCC(=O)OC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl
InchiInChI=1S/C17H12BrClN2O3/c1-9(22)24-17-16(23)20-14-7-6-10(18)8-12(14)15(21-17)11-4-2-3-5-13(11)19/h2-8,17H,1H3,(H,20,23)
FormulaC17H12BrClN2O3
PubChem ID630731
Molweight407.6
LogP3
Atoms24
Bonds3
H-bond Acceptor4
H-bond Donor1
Chemical Classificationamides aromatic compounds benzenoids bromides chlorides esters halogenated compounds heterocyclic compounds imines

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


1,2,3,4,5-pentabromo-6-(butoxymethyl)benzene

Compound Details

Synonymous names
NPJCPTABFRGOHJ-UHFFFAOYSA-N
2,3,4,5,6-Pentabromobenzyl alcohol, n-butyl ether
Microorganism:

Yes

IUPAC name1,2,3,4,5-pentabromo-6-(butoxymethyl)benzene
SMILESCCCCOCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
InchiInChI=1S/C11H11Br5O/c1-2-3-4-17-5-6-7(12)9(14)11(16)10(15)8(6)13/h2-5H2,1H3
FormulaC11H11Br5O
PubChem ID15525312
Molweight558.7
LogP6.3
Atoms17
Bonds5
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids bromides ethers halogenated compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Pectobacterium Carotovoruminoculated potato samplesGC-MSno