Results for:
chemical Classification: aromatic ketones

2-hydroxy-1,2-diphenylethanone

Compound Details

Synonymous names
BENZOIN
119-53-9
2-Hydroxy-1,2-diphenylethanone
2-Hydroxy-2-phenylacetophenone
Benzoylphenylcarbinol
DL-BENZOIN
Ethanone, 2-hydroxy-1,2-diphenyl-
579-44-2
(+-)-Benzoin
alpha-Hydroxybenzyl phenyl ketone
Phenylbenzoyl carbinol
2-hydroxy-1,2-diphenylethan-1-one
alpha-Hydroxy-alpha-phenylacetophenone
Aerozoin
Phenyl-alpha-hydroxybenzyl ketone
desyl alcohol
FEMA No. 2132
NCI-C50011
9000-72-0
Acetophenone, 2-hydroxy-2-phenyl-
NSC 8082
Wy 42956
Hydroxy-2-phenyl acetophenone
2-hydroxy-1,2-diphenyl-ethanone
NSC-8082
MFCD00004496
a-Hydroxybenzyl phenyl ketone
CHEMBL190677
L7J6A1NE81
DTXSID1020144
CHEBI:17682
Phenyl-.alpha.-hydroxybenzyl ketone
Ketone, .alpha.-hydroxybenzyl phenyl
NCGC00091396-02
.alpha.-Hydroxy-.alpha.-phenylacetophenone
Ethanone, 2-hydroxy-1,2-diphenyl-, (A+/-)-
DTXCID10144
CCRIS 75
CAS-119-53-9
(RS)-Benzoin
Benzoin (VAN)
HSDB 384
Ketone, alpha-hydroxybenzyl phenyl
EINECS 204-331-3
EINECS 209-441-5
Fenyl-alpha-hydroxybenzylketon [Czech]
benzoine
BRN 0391839
UNII-L7J6A1NE81
Fenyl-alpha-hydroxybenzylketon
WY-42956
AI3-00851
Benzoin absolute
CCRIS 9123
DL-Benzoin; Desyl alcohol;(+/-)-2-Hydroxy-2-phenylacetophenone
2-hydroxy-1,2-diphenyl ethanone
Alpha-hydroxy-a-phenylacetophenone
benzoin resin siam
PhCH(OH)COPh
PhCOCH(OH)Ph
Benzoin, 98%
(+/-)-benzoin
(1)-2-Hydroxy-1,2-diphenylethan-1-one
Benzoin, >=98%
BENZOIN [MI]
(.+/-.)-Benzoin
WLN: QYR&VR
SCHEMBL145
EC 204-331-3
Hyperabsolute benzoin, Siam
Benzoin, analytical standard
Oprea1_687165
4-08-00-01279 (Beilstein Handbook Reference)
MLS002152893
a-Hydroxy-a-phenylacetophenone
FEMA No. 2133
2-hydroxy-2-phenyl-acetophenone
BENZOIN, (+/-)-
Fenyl-.alpha.-hydroxybenzylketon
BDBM22728
FEMA 2132
HSDB 1929
NSC8082
alpha -Hydroxybenzyl phenyl ketone
HMS3039I03
Phenyl-alpha -hydroxybenzyl ketone
.alpha.-Hydroxybenzyl phenyl ketone
HY-B1550
Tox21_111126
Tox21_201888
Tox21_302790
STK358785
AKOS000118894
AKOS016038141
Tox21_111126_1
2-Hydroxy-1,2-diphenylethanone, 9CI
Benzoin 100 microg/mL in Acetonitrile
CS-W020562
DB14020
MCULE-7039379354
alpha -Hydroxy-alpha -phenylacetophenone
NCGC00091396-01
NCGC00091396-03
NCGC00091396-05
NCGC00256433-01
NCGC00259437-01
AC-11139
Benzoin, Vetec(TM) reagent grade, 98%
BS-14748
SMR001224505
DB-018065
B0079
B0222
Benzoin Zone Refined (number of passes:40)
Benzoin, purified by sublimation, >=99.5%
NS00001432
EN300-18095
C01408
D77908
(+/-)-2-HYDROXY-1,2-DIPHENYLETHANONE
A804309
AE-848/06163047
Ethanone, 2-hydroxy-1,2-diphenyl-, (.+/-.)-
Q426819
SR-01000854680
J-004149
J-509605
SR-01000854680-2
Z57160197
F0001-0307
DL-Benzoin; Desyl alcohol;()-2-Hydroxy-2-phenylacetophenone
Ethanone, 2-hydroxy-1,2-diphenyl-, mixt. with aloe, storax and Tolu Balsam, tincture
Microorganism:

Yes

IUPAC name2-hydroxy-1,2-diphenylethanone
SMILESC1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O
InchiInChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
FormulaC14H12O2
PubChem ID8400
Molweight212.24
LogP2.1
Atoms16
Bonds3
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic ketones alcohols aromatic compounds benzenoids ketones
CHEBI-ID17682
Supernatural-IDSN0153820

mVOC Specific Details

Boiling Point
DegreeReference
148.2 median
Massbank-Links

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-phenyldecan-1-one

Mass-Spectra

Compound Details

Synonymous names
Decanophenone
6048-82-4
n-Decanophenone
1-Phenyldecan-1-one
Capriphenone
1-Decanone, 1-phenyl-
Nonyl phenyl ketone
Ketone, nonyl phenyl
1-Phenyl-1-decanone
Ketone, nonenyl phenyl
NSC-22014
3471N36DD1
EINECS 227-946-9
NSC 22014
Nonyl phenyl ketone, 98%
SCHEMBL574811
Nonyl phenyl ketone, >=99%
DTXSID5064093
UNII-3471N36DD1
NSC22014
MFCD00009582
STL477542
AKOS009156960
MCULE-2137417358
AS-56668
DB-053631
CS-0078211
D0026
NS00015340
E78930
Microorganism:

Yes

IUPAC name1-phenyldecan-1-one
SMILESCCCCCCCCCC(=O)C1=CC=CC=C1
InchiInChI=1S/C16H24O/c1-2-3-4-5-6-7-11-14-16(17)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3
FormulaC16H24O
PubChem ID80148
Molweight232.36
LogP5.7
Atoms17
Bonds9
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic ketones benzenoids ketones aromatic compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStigmatella Aurantiacan/aNASchulz and Dickschat 2007
ProkaryotaNannocystis Exedensn/aNADickschat et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaNannocystis Exedensn/an/ano


9-methyl-1-phenyldecan-1-one

Compound Details

Synonymous names
9-methyl-1-phenyldecan-1-one
SCHEMBL17867451
NWMOWTHLIXLVOY-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC name9-methyl-1-phenyldecan-1-one
SMILESCC(C)CCCCCCCC(=O)C1=CC=CC=C1
InchiInChI=1S/C17H26O/c1-15(2)11-7-4-3-5-10-14-17(18)16-12-8-6-9-13-16/h6,8-9,12-13,15H,3-5,7,10-11,14H2,1-2H3
FormulaC17H26O
PubChem ID85868760
Molweight246.4
LogP5.9
Atoms18
Bonds9
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic ketones aromatic compounds benzenoids ketones

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStigmatella Aurantiacan/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStigmatella Aurantiacan/an/ano


(E)-4-phenylbut-3-en-2-one

Mass-Spectra

Compound Details

Synonymous names
Benzylideneacetone
Benzalacetone
1896-62-4
122-57-6
4-Phenylbut-3-en-2-one
(E)-4-phenylbut-3-en-2-one
Methyl styryl ketone
4-PHENYL-3-BUTEN-2-ONE
Acetocinnamone
trans-Benzylideneacetone
trans-4-Phenyl-3-buten-2-one
Benzylidene acetone
(E)-4-Phenyl-3-buten-2-one
trans-Benzalacetone
Styryl methyl ketone
Methyl trans-styryl ketone
Benzalaceton
4-Phenylbutenone
3-Buten-2-one, 4-phenyl-
Benzilideneacetone
Benzilidene acetone
2-Phenylvinyl methyl ketone
TPBO
trans-Benzylidenacetone
Methyl 2-phenylvinyl ketone
trans-4-Phenyl-3-butene-2-one
Methyl beta-styryl ketone
3-Buten-2-one, 4-phenyl-, (3E)-
Ketone, methyl styryl
trans-4-Phenylbut-3-en-2-one
4-Phenyl-3-butene-2-one
(3E)-4-phenylbut-3-en-2-one
3-BUTEN-2-ONE, 4-PHENYL-, (E)-
(3E)-4-Phenyl-3-buten-2-one
Benzalaceton [German]
FEMA No. 2881
benzalacetone-d4
NSC 5605
BENZ
Methyl styryl acetone
1-Buten-3-one-1-phenyl
Methyl .beta.-styryl ketone
ghl.PD_Mitscher_leg0.147
B03X40BMT5
DTXSID1031626
CHEBI:78399
CHEBI:217301
(3E)-4-Phenylbut-3-en-2-one (Benzalacetone)
(E)-4-Phenyl-but-3-en-2-one
4-Phenyl-but-3-en-2-one
NSC-5605
Benzalaceton (german)
DTXCID305662
fema 2881
CAS-122-57-6
Benzylidene acetone (natural)
CCRIS 5319
t-PBO
EINECS 204-555-1
EINECS 217-587-6
DTXSID4025662
BRN 0742046
BRN 0742047
UNII-B03X40BMT5
benzylidenacetone
AI3-00944
AI3-52291
benzylideneacetone, (E)-isomer
benzylideneacetone, (Z)-isomer
trans-Benzylideneacetone;Benzalacetone
trans-4-phenyl-but-3-en-2-one
(E)-1-Buten-3-one, 1-phenyl
(3E)-4-Phenylbut-3-en-2-one; Warfarin Sodium Imp. C (EP); Benzalacetone; Warfarin Sodium Impurity C; Warfarin Impurity C
cinnamyl methyl ketone
Epitope ID:120383
1-Phenyl-1-buten-3-one
EC 204-555-1
Methyl beta -STYRYL ketone
SCHEMBL76632
2-07-00-00287 (Beilstein Handbook Reference)
4-07-00-01003 (Beilstein Handbook Reference)
E-4-phenyl-3-buten-2-one
MLS002454416
CHEMBL73639
SCHEMBL312972
WLN: 1V1U1R
BENZYLIDENEACETONE [MI]
DTXCID9011626
4-Phenyl-(E)-3-Buten-2-one
AMY6963
BENZYLIDENEACETONE, (E)-
Benzylideneacetone, >=98%, FG
NSC5605
Benzalacetone, analytical standard
HMS2268K18
4-Phenyl-3-buten-2-one, 99%
BENZALACETONE [USP IMPURITY]
Tox21_201502
Tox21_301598
Tox21_303222
MFCD00008779
s9478
STK803195
AKOS000119902
CS-W013311
DS-4780
HY-W012595
4-PHENYL-3-BUTEN-2-ONE, TRANS
NCGC00091356-01
NCGC00091356-02
NCGC00255323-01
NCGC00257166-01
NCGC00259053-01
4-PHENYL-3-BUTEN-2-ONE [FHFI]
LS-13761
SMR001252234
CAS-1896-62-4
trans-4-Phenyl-3-buten-2-one, >=99%
DB-003136
NS00003742
P0163
EN300-18891
D70186
D70528
EN300-366968
WARFARIN SODIUM IMPURITY C [EP IMPURITY]
A804921
A813340
Q4380955
W-107746
W-109036
3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE
3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE
F0001-0357
Z2582847786
InChI=1/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7
Microorganism:

Yes

IUPAC name(E)-4-phenylbut-3-en-2-one
SMILESCC(=O)C=CC1=CC=CC=C1
InchiInChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
FormulaC10H10O
PubChem ID637759
Molweight146.19
LogP2.1
Atoms11
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic ketones aromatic compounds benzenoids ketones
CHEBI-ID78399
Supernatural-IDSN0037239-01

mVOC Specific Details

Boiling Point
DegreeReference
262 median
MS-Links
Massbank-Links
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007143
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007378
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007455
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008082
Massbank Spectrum MSBNK-LCSB-LU122401
Massbank Spectrum MSBNK-LCSB-LU122402
Massbank Spectrum MSBNK-LCSB-LU122403
Massbank Spectrum MSBNK-LCSB-LU122404
Massbank Spectrum MSBNK-LCSB-LU122405
Massbank Spectrum MSBNK-LCSB-LU122406
Massbank Spectrum MSBNK-NaToxAq-NA000797
Massbank Spectrum MSBNK-NaToxAq-NA000798
Massbank Spectrum MSBNK-NaToxAq-NA000799
Massbank Spectrum MSBNK-NaToxAq-NA000800
Massbank Spectrum MSBNK-NaToxAq-NA000801
Massbank Spectrum MSBNK-NaToxAq-NA000927
Massbank Spectrum MSBNK-NaToxAq-NA000928
Massbank Spectrum MSBNK-NaToxAq-NA000929
Massbank Spectrum MSBNK-NaToxAq-NA000930
Massbank Spectrum MSBNK-NaToxAq-NA000931
Massbank Spectrum MSBNK-NaToxAq-NA001050
Massbank Spectrum MSBNK-NaToxAq-NA001051
Massbank Spectrum MSBNK-NaToxAq-NA001052
Massbank Spectrum MSBNK-NaToxAq-NA001053
Massbank Spectrum MSBNK-NaToxAq-NA001054
Massbank Spectrum MSBNK-NaToxAq-NA001177
Massbank Spectrum MSBNK-NaToxAq-NA001178
Massbank Spectrum MSBNK-NaToxAq-NA001179
Massbank Spectrum MSBNK-NaToxAq-NA001180
Massbank Spectrum MSBNK-NaToxAq-NA001181
Massbank Spectrum MSBNK-NaToxAq-NA001304
Massbank Spectrum MSBNK-NaToxAq-NA001305
Massbank Spectrum MSBNK-NaToxAq-NA001306
Massbank Spectrum MSBNK-NaToxAq-NA001307
Massbank Spectrum MSBNK-NaToxAq-NA001308
Massbank Spectrum MSBNK-NaToxAq-NA001429
Massbank Spectrum MSBNK-NaToxAq-NA001430
Massbank Spectrum MSBNK-NaToxAq-NA001431
Massbank Spectrum MSBNK-NaToxAq-NA001432
Massbank Spectrum MSBNK-NaToxAq-NA001433
Massbank Spectrum MSBNK-NaToxAq-NA001564
Massbank Spectrum MSBNK-NaToxAq-NA001565
Massbank Spectrum MSBNK-NaToxAq-NA001566
Massbank Spectrum MSBNK-NaToxAq-NA001567
Massbank Spectrum MSBNK-NaToxAq-NA001568
Massbank Spectrum MSBNK-NaToxAq-NA001689
Massbank Spectrum MSBNK-NaToxAq-NA001690
Massbank Spectrum MSBNK-NaToxAq-NA001691
Massbank Spectrum MSBNK-NaToxAq-NA001692
Massbank Spectrum MSBNK-NaToxAq-NA001693
Massbank Spectrum MSBNK-NaToxAq-NA001809
Massbank Spectrum MSBNK-NaToxAq-NA001810
Massbank Spectrum MSBNK-NaToxAq-NA001811
Massbank Spectrum MSBNK-NaToxAq-NA001812
Massbank Spectrum MSBNK-NaToxAq-NA001813
Massbank Spectrum MSBNK-NaToxAq-NA001927
Massbank Spectrum MSBNK-NaToxAq-NA001928
Massbank Spectrum MSBNK-NaToxAq-NA001929
Massbank Spectrum MSBNK-NaToxAq-NA001930
Massbank Spectrum MSBNK-NaToxAq-NA001931
Massbank Spectrum MSBNK-NaToxAq-NA002043
Massbank Spectrum MSBNK-NaToxAq-NA002044
Massbank Spectrum MSBNK-NaToxAq-NA002045
Massbank Spectrum MSBNK-NaToxAq-NA002046
Massbank Spectrum MSBNK-NaToxAq-NA002047

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptococcus PneumoniaeNANAKaeslin et al. 2021
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptococcus PneumoniaeBHISESI-MSno
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes


1-phenylpentan-3-one

Compound Details

Synonymous names
1-Phenylpentan-3-one
20795-51-1
1-Phenyl-3-pentanone
3-Pentanone, 1-phenyl-
1-Phenyl-pentan-3-one
AI3-21915
VEP8CR4F7Z
EINECS 244-045-6
5phenylpentan-3-one
UNII-VEP8CR4F7Z
SCHEMBL1874
DTXSID10174882
MFCD00027025
AKOS009389875
MCULE-8657578743
DB-045375
CS-0245904
NS00026738
EN300-313191
F87226
A814906
Microorganism:

No

IUPAC name1-phenylpentan-3-one
SMILESCCC(=O)CCC1=CC=CC=C1
InchiInChI=1S/C11H14O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
FormulaC11H14O
PubChem ID88701
Molweight162.23
LogP2.3
Atoms12
Bonds4
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic ketones aromatic compounds benzenoids ketones
Supernatural-IDSN0109141

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaMycoleptodonoides AitchisoniiInhibitory activity against plant-pathogenic fungiNANishino et al. 2013
EukaryotaMycoleptodonoides AitchisoniiNANishino et al. 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaMycoleptodonoides Aitchisoniipotato dextrose agarSolvant extraction and HPLCno
EukaryotaMycoleptodonoides Aitchisoniino


1-phenylbutan-2-one

Compound Details

Synonymous names
1-Phenylbutan-2-one
1-PHENYL-2-BUTANONE
1007-32-5
Benzyl ethyl ketone
2-Butanone, 1-phenyl-
ethyl benzyl ketone
1-phenyl-butan-2-one
1AKG6904VP
MFCD00009315
NSC-133447
2-Butanone, phenyl-
phenylbutanone
UNII-1AKG6904VP
EINECS 213-752-1
1-(phenyl)-butanone
NSC 133447
SCHEMBL43241
1-Phenyl-2-butanone, 98%
DTXSID60143462
AMY25509
NSC133447
AKOS009031193
MCULE-7523781698
SY013451
CS-0112591
NS00015529
P0971
EN300-21394
Q27252157
InChI=1/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H
Microorganism:

Yes

IUPAC name1-phenylbutan-2-one
SMILESCCC(=O)CC1=CC=CC=C1
InchiInChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
FormulaC10H12O
PubChem ID13879
Molweight148.2
LogP1.9
Atoms11
Bonds3
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic ketones aromatic compounds ketones benzenoids
Supernatural-IDSN0107869

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLitoreibacter Sp.isolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLitoreibacter Sp.marine broth agarOSSA/GC-MSno


1-(6-methylpyridin-3-yl)ethanone

Compound Details

Synonymous names
5-Acetyl-2-methylpyridine
36357-38-7
1-(6-methylpyridin-3-yl)ethanone
3-Acetyl-6-Methylpyridine
2-Methyl-5-acetylpyridine
Ethanone, 1-(6-methyl-3-pyridinyl)-
1-(6-Methylpyridin-3-yl)ethan-1-one
5-Acetyl-2-picoline
1-(6-Methyl-pyridin-3-yl)-ethanone
1-(6-Methyl-3-pyridyl)-1-ethanone
0H4J36GB7B
1-(6-Methyl-3-pyridinyl)ethanone
MFCD00128113
NSC-27972
1-(6-methyl-3-pyridyl)ethanone
UNII-0H4J36GB7B
NSC27972
EINECS 252-995-8
NSC 27972
5-acetyl-2-methyl pyridine
2-Methyl-5-acetyl-pyridine
Pyridine, 5-acetyl-2-methyl
SCHEMBL575041
DTXSID5067970
1-(6-methylpyrid-3-yl)ethanone
BCP26797
CS-B0461
1-(6-methylpyridin-3-yl) ethanone
1-(6-methylpyridin-3-yl)-ethanone
1-(6-Methyl-3-pyridinyl)ethanone #
AKOS009423404
AB03568
AC-5980
SB36841
SY063969
TS-01742
KETONE, METHYL 6-METHYL-3-PYRIDYL
DB-009932
A6289
AM20061680
NS00030025
EN300-49471
W-202510
Q27236777
5-Acetyl-2-picoline;1-(6-Methyl-3-pyridinyl)-ethanone
3-Acetyl-6-methylpyridine; 1-(6-methylpyridin-3-yl)ethanone; 2-Methyl-5-acetylpyridine
Microorganism:

Yes

IUPAC name1-(6-methylpyridin-3-yl)ethanone
SMILESCC1=NC=C(C=C1)C(=O)C
InchiInChI=1S/C8H9NO/c1-6-3-4-8(5-9-6)7(2)10/h3-5H,1-2H3
FormulaC8H9NO
PubChem ID95292
Molweight135.16
LogP0.9
Atoms10
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic ketones aromatic compounds nitrogen compounds ketones heterocyclic compounds pyridines
Supernatural-IDSN0296393

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNATimm et al. 2018
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaTSASPME, GC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


4-benzoylbenzonitrile

Compound Details

Synonymous names
4-Benzoylbenzonitrile
4-Cyanobenzophenone
1503-49-7
Benzonitrile, 4-benzoyl-
4-benzoyl-benzonitrile
MFCD00016382
Benzonitrile,4-benzoyl-
p-Cyanobenzophenone
EINECS 216-126-6
4-Cyano-benzophenon
p-Benzoylbenzonitrile
4-Cyano-benzophenone
4-Benzoylbenzonitrile #
Benzonitrile, p-benzoyl-
p-Cyanophenyl phenyl ketone
4-Cyanobenzophenone, 97%
4-cyanophenyl phenyl ketone
VD6QK8C72H
(4-Cyanophenyl)phenylmethanone
SCHEMBL3215328
DTXSID40164514
AKOS015916254
MCULE-9191324141
RS-1016
SY013985
DB-043050
CS-0156560
NS00024915
C72859
J-008689
InChI=1/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9
Microorganism:

Yes

IUPAC name4-benzoylbenzonitrile
SMILESC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N
InchiInChI=1S/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H
FormulaC14H9NO
PubChem ID73921
Molweight207.23
LogP3.1
Atoms16
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic ketones nitriles aromatic compounds benzenoids ketones 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


1-(4-aminophenyl)ethanone

Compound Details

Synonymous names
4'-Aminoacetophenone
99-92-3
4-Aminoacetophenone
1-(4-Aminophenyl)ethanone
p-Aminoacetophenone
4-ACETYLANILINE
p-Acetylaniline
Ethanone, 1-(4-aminophenyl)-
p-Aminoacetylbenzene
1-(4-Aminophenyl)Ethan-1-One
Acetophenone, 4'-amino-
Acetophenone, p-amino-
p-Aminoacetofenonu
USAF EK-631
NSC 3242
MFCD00007896
1-(4-Aminophenyl)-ethanone
1S58KH902I
NSC-3242
Acetophenone, 4-amino-
p-Aminoacetofenonu [Polish]
4'-aminoacetophenon
p-amino acetophenone
CCRIS 5061
HSDB 2711
1-acetyl-4-aminobenzene
EINECS 202-801-2
BRN 0471493
UNII-1S58KH902I
4-acetylanilin
AI3-01092
p-aminoacetophenon
p-amino-acetophenone
4-acetyl phenylamine
4-amino acetophenone
para-amino acetophenone
4'-Amino acetophenone
4-AMINO-ACETOPHENON
WLN: ZR DV1
1-(4-aminophenyl) ethanone
4'-Aminoacetophenone, 99%
4-14-00-00100 (Beilstein Handbook Reference)
SCHEMBL223335
4-ACETYLANILINE [HSDB]
CHEMBL3278329
DTXSID6052669
SCHEMBL12918413
NSC3242
BCP30575
STR00944
STL181959
AKOS000119076
CS-W009534
HY-W008818
MCULE-4764145437
PS-4587
SB75393
BP-13068
SY011145
A0251
NS00009372
4 inverted exclamation mark -Aminoacetophenone
EN300-17971
F11286
p-Aminoacetophenone; 1-(4-Aminophenyl)-ethanone
A846101
AC-907/25014209
W-100008
Q27252822
Z57127377
F2146-0311
CLENBUTEROL HYDROCHLORIDE IMPURITY D [EP IMPURITY]
InChI=1/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H
4'-Aminoacetophenone, for spectrophotometric det. of Ce, Pd, >=98.0% (NT)
4'-Aminoacetophenone, Pharmaceutical Secondary Standard; Certified Reference Material
1-(4-Aminophenyl)ethanone;p-Aminoacetophenone; 1-Acetyl-4-aminobenzene; 4-Acetylaniline; 4-Acetylphenylamine;Clenbuterol Impurity D
Microorganism:

Yes

IUPAC name1-(4-aminophenyl)ethanone
SMILESCC(=O)C1=CC=C(C=C1)N
InchiInChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3
FormulaC8H9NO
PubChem ID7468
Molweight135.16
LogP0.8
Atoms10
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic ketones amines aromatic compounds benzenoids ketones nitrogen compounds
Supernatural-IDSN0112074

mVOC Specific Details

Boiling Point
DegreeReference
294 °C peer reviewed
Volatilization
The Henry's Law constant for 4-acetylaniline is estimated as 4.4X10-9 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-acetylaniline is expected to be essentially nonvolatile from water and moist soil surfaces(2). 4-Acetylaniline is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.3X10-4 mm Hg(SRC), determined from a fragment constant method(3).
Soil Adsorption
The Koc of 4-acetylaniline is estimated as 25(SRC), using a log Kow of 0.83(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-acetylaniline is expected to have very high mobility in soil. However, aromatic amines are expected to bind strongly to humus or organic matter in soils due to the high reactivity of the aromatic amino group(4,5), suggesting that mobility may be much lower in some soils(SRC). The initial bonding reaction is followed by a slower and much less reversible reaction believed to represent the addition of the amine to quinoidal structures followed by oxidation of the product to give an amino-substituted quinone; these processes represent pathways by which aromatic amines may be converted to latent forms in the biosphere(6).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/GC-MSno


1-(1,3-thiazol-2-yl)ethanone

Mass-Spectra

Compound Details

Synonymous names
2-Acetylthiazole
24295-03-2
1-(1,3-Thiazol-2-yl)ethan-1-one
1-(1,3-Thiazol-2-yl)ethanone
Ethanone, 1-(2-thiazolyl)-
1-thiazol-2-yl-ethanone
2-ACETYL THIAZOLE
Methyl 2-thiazolyl ketone
1-(Thiazol-2-yl)ethan-1-one
Ketone, methyl 2-thiazolyl
1-(2-Thiazolyl)ethanone
2-Thiazolyl methyl ketone
1-(thiazol-2-yl)ethanone
Thiazole, 2-acetyl
2-acetylthiazol
MFCD00005324
FEMA No. 3328
1-(2-thiazolyl)-ethanone
DTXSID0030162
16IGS5268I
DTXCID8010162
CAS-24295-03-2
2-acetyl-1,3-thiazole
Methyl 5-thiazolyl ketone
acetylthiazole
2acetylthiazole
UNII-16IGS5268I
2 Acetylthiazole
2-acetyl
2-acetyl-
EINECS 246-134-5
1-Thiazol-2-ylmethanone
2-Acetylthiazole, 99%
MLS002415692
SCHEMBL247631
2-ACETYLTHIAZOLE [FHFI]
CHEMBL1589555
1-(2-Thiazolyl)ethanone, 9CI
FEMA 3328
Methyl 2-thiazolyl ketone, 8CI
2-ACETYL THIAZOLE [FCC]
2-Acetylthiazole, >=99%, FG
CHEBI:173474
HMS3039C05
BCP27129
STR03999
Tox21_202054
Tox21_303515
AKOS005259005
AC-3209
CS-W008970
PB42359
PS-5288
NCGC00091718-01
NCGC00091718-02
NCGC00257353-01
NCGC00259603-01
2-Thiazolyl methyl ketone2-Acetylthiazole
SMR001370882
SY004958
DB-020350
A1265
AM20090269
NS00012995
EN300-67228
F11223
Q-100310
Q27251815
F0001-0826
Z1069877574
2 inverted exclamation mark -Chloro-biphenyl-4-carbaldehyde
Microorganism:

Yes

IUPAC name1-(1,3-thiazol-2-yl)ethanone
SMILESCC(=O)C1=NC=CS1
InchiInChI=1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3
FormulaC5H5NOS
PubChem ID520108
Molweight127.17
LogP1
Atoms8
Bonds1
H-bond Acceptor3
H-bond Donor0
Chemical Classificationaromatic ketones heterocyclic compounds thiazoles ketones aromatic compounds nitrogen compounds sulfur compounds
CHEBI-ID173474
Supernatural-IDSN0231102

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANANeerincx et al. 2016
ProkaryotaProteus MirabilisNANAJünger et al. 2012
ProkaryotaAcinetobacter RadioresistensNATimm et al. 2018
ProkaryotaBrevibacterium EpidermidisNATimm et al. 2018
ProkaryotaCorynebacterium XerosisNATimm et al. 2018
ProkaryotaStreptomyces Sp.NAJones et al. 2017
EukaryotaFusarium VerticillioidesNADickschat et al. 2011
ProkaryotaPseudomonas Vranovensisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Veroniinarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Frederiksbergensisnaphyllosphere of field-grown potato plantsHunziker et al. 2015
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
ProkaryotaStaphylococcus EquorumNANAToral et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusSDB + chloramphenicolTD/GC-MSno
ProkaryotaProteus MirabilisColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaAcinetobacter RadioresistensTSASPME, GC-MSno
ProkaryotaBrevibacterium EpidermidisTSASPME, GC-MSno
ProkaryotaCorynebacterium XerosisTSASPME, GC-MSno
ProkaryotaStreptomyces Sp.YPD agarGCxGC-TOFMSno
EukaryotaFusarium Verticillioidesno
ProkaryotaPseudomonas VranovensisLB mediumGC/MSyes
ProkaryotaPseudomonas VeroniiLB mediumGC/MSyes
ProkaryotaPseudomonas FrederiksbergensisLB mediumGC/MSyes
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
ProkaryotaStaphylococcus EquorumMOLPHS-SPME-GC/MSno


1-(2-hydroxyphenyl)propan-1-one

Compound Details

Synonymous names
2'-Hydroxypropiophenone
610-99-1
1-(2-hydroxyphenyl)propan-1-one
1-Propanone, 1-(2-hydroxyphenyl)-
2-Propionylphenol
o-Hydroxypropiophenone
o-Propiophenol
AI3-11684
Propiophenone, 2'-hydroxy-
ZGH9CA1BFI
ortho-Hydroxypropiophenone
1-(2-Hydroxyphenyl)-1-propanone
NSC-3785
MFCD00002220
AI311684
2-(Propionyl)phenol
NSC3785
EINECS 210-244-1
UNII-ZGH9CA1BFI
2'-hydroxy-propiophenone
2\'-Hydroxypropiophenone
Propiophenone, o-hydroxy-
EC 210-244-1
2-Hydroxyphenyl ethyl ketone
Ethyl 2-Hydroxyphenyl Ketone
SCHEMBL111675
2?-HYDROXYPROPIOPHENONE
2'-Hydroxypropiophenone, 97%
CHEMBL151116
(3-Isothiocyanatopropoxy)benzene
DTXSID90209868
CHEBI:192968
NSC 3785
AC8486
BBL011846
STL163409
1-(2-Hydroxy-phenyl)-propan-1-one
1-(2-Hydroxyphenyl)-1-propanone #
AKOS000121339
MCULE-6236011886
AC-10642
AS-12054
SY015244
AI3 11684
AI311684AI3-11684
CS-0064037
H0298
NS00003335
EN300-17641
2 inverted exclamation mark -Hydroxypropiophenone
W-105197
Z56969334
F1908-0078
1-(2-HYDROXYPHENYL)-PROPANONE (2-HYDROXY-PROPIOPHENONE)
InChI=1/C9H10O2/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,11H,2H2,1H
Microorganism:

No

IUPAC name1-(2-hydroxyphenyl)propan-1-one
SMILESCCC(=O)C1=CC=CC=C1O
InchiInChI=1S/C9H10O2/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,11H,2H2,1H3
FormulaC9H10O2
PubChem ID69133
Molweight150.17
LogP2.5
Atoms11
Bonds2
H-bond Acceptor2
H-bond Donor1
Chemical Classificationbenzenoids aromatic compounds aromatic ketones phenols
CHEBI-ID192968

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaChromera VeliaCulture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK)Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaChromera Veliaseawater media L1OSSA/GC-MSno


1-(2-hydroxy-5-methylphenyl)ethanone

Compound Details

Synonymous names
1450-72-2
2'-Hydroxy-5'-methylacetophenone
1-(2-Hydroxy-5-methylphenyl)ethanone
2-Hydroxy-5-methylacetophenone
Ethanone, 1-(2-hydroxy-5-methylphenyl)-
o-Acetyl-p-cresol
2-ACETYL-4-METHYLPHENOL
1-(2-Hydroxy-5-Methylphenyl)Ethan-1-One
1-Hydroxy-2-acetyl-4-methylbenzene
1-(2-Hydroxy-5-methyl-phenyl)-ethanone
MFCD00002380
Acetophenone, 2'-hydroxy-5'-methyl-
11661U1ZEN
NSC-26458
NSC-63363
UNII-11661U1ZEN
2-Hydroxy-5-methyl acetophenone
NSC63363
2-Acetyl-p-cresol
EINECS 215-915-2
NCIOpen2_000252
SCHEMBL471440
CHEMBL4444601
DTXSID9061702
FEMA NO. 4594
Methyl 6-hydroxy-m-tolyl ketone
CHEBI:179659
2'-hydroxy-5'-methyl-acetophenone
NSC26458
NSC 26458
NSC 63363
STK727255
AKOS000266093
HY-W100681
MCULE-5089038494
SDCCGMLS-0065880.P001
1-(2-Hydroxy-5-methylphenyl)-Ethanone
2'-Hydroxy-5'-methylacetophenone, 98%
1-(2-Hydroxy-5-methylphenyl)ethanone #
5'-METHYL-2'-HYDROXYACETOPHENONE
BP-12459
PD171706
SY048474
DB-011374
1-(2-Hydroxy-5-methylphenyl)ethanone, 9CI
CS-0153323
H0790
NS00021663
EN300-18588
5D-073
1-(2-HYDROXY-5-METHYLPHENYL)-1-ETHANONE
J-008048
Q27251292
Z85923114
2 inverted exclamation mark -Hydroxy-5 inverted exclamation mark -methylacetophenone
InChI=1/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H
Microorganism:

Yes

IUPAC name1-(2-hydroxy-5-methylphenyl)ethanone
SMILESCC1=CC(=C(C=C1)O)C(=O)C
InchiInChI=1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3
FormulaC9H10O2
PubChem ID15068
Molweight150.17
LogP2.3
Atoms11
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationbenzenoids aromatic compounds aromatic ketones phenols
CHEBI-ID179659
Supernatural-IDSN0455322

mVOC Specific Details

Boiling Point
DegreeReference
210 median

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Tequilensisantifungal activity against the hyphae growth of Ceratocystis fimbriatarhizosphere soil of a sweet potato variety (Xushu-36) from Xuzhou Academy of Agricultural Sciences in China in 2016Xu et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus TequilensisLB mediaHS-SPME/GC-MSno


1-(2-aminophenyl)ethanone

Mass-Spectra

Compound Details

Synonymous names
2'-Aminoacetophenone
551-93-9
1-(2-Aminophenyl)ethanone
O-AMINOACETOPHENONE
2-Acetylaniline
o-Acetylaniline
o-Aminoacetylbenzene
1-Acetyl-2-aminobenzene
Acetophenone, 2'-amino-
Ethanone, 1-(2-aminophenyl)-
1-(2-Aminophenyl)Ethan-1-One
1-(2-aminophenyl)-ethanone
ortho-aminoacetophenone
2'-Amonioacetophenone
2-acetylphenylamine
NSC 8820
MFCD00007717
o-Aminophenyl methyl ketone
1-(2-amino-phenyl)-ethanone
125507-96-2
DTXSID4052213
NSC-8820
69Y77091BC
Ethanol, 1-(6-imino-2,4-cyclohexadien-1-ylidene)- (9CI)
27941-88-4
2'-Aminoacetophenone, >=98%
Ethanone, 1-(aminophenyl)-
UNII-69Y77091BC
HSDB 5494
6-acetyl-aniline
2'aminoacetophenone
5 kaal
EINECS 209-002-8
o-Amino acetophenone
orthoaminoacetophenone
2`-Aminoacetophenone
1-acetyl-aminobenzene
2'-Amino acetophenone
AI3-04095
1-(Aminophenyl)-Ethanone
1-(2'-aminophenyl)ethanone
2'-Aminoacetophenone, 98%
SCHEMBL309044
2-(methylcarbonyl)benzeneamine
1-(2-Aminophenyl)ethanone #
1-(2-aminophenyl)-1-ethanone
CHEMBL2251601
DTXCID6030784
FEMA NO. 3906
1-(2-aminophenyl)ethane-1-one
CHEBI:91110
FEMA 3906
GTDQGKWDWVUKTI-UHFFFAOYSA-
NSC8820
1-(2-Aminophenyl)ethanone, 9CI
O-AMINOACETOPHENONE [HSDB]
CS-D1191
HY-I0501
STR00923
2'-AMINOACETOPHENONE [FHFI]
Tox21_304027
STL146696
AKOS000120944
MCULE-8977994715
PS-4579
NCGC00357236-01
2'-Aminoacetophenone, analytical standard
AC-25881
BP-21338
CAS-551-93-9
SY001368
DB-014028
DB-275746
A0250
A7989
AM20060473
NS00022361
2 inverted exclamation mark -Aminoacetophenone
EN300-18094
A929275
J-507741
W-105581
Q27163057
ETHANOL, 1-(6-IMINO-2,4-CYCLOHEXADIEN-1-YLIDENE)-
InChI=1/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
VNJ
Microorganism:

Yes

IUPAC name1-(2-aminophenyl)ethanone
SMILESCC(=O)C1=CC=CC=C1N
InchiInChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
FormulaC8H9NO
PubChem ID11086
Molweight135.16
LogP1.6
Atoms10
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic compounds aromatic ketones amines benzenoids nitrogen compounds
CHEBI-ID91110
Supernatural-IDSN0114658

mVOC Specific Details

Boiling Point
DegreeReference
BP 250-252 DEG C @ 760 MM HG (SOME DECOMP)Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 68
Solubility
PRACTICALLY INSOL IN WATER; SOL IN ALC
Literature: Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 68
Literature: #SOL IN ETHER
Literature: Lide, D.R. (ed). CRC Handbook of Chemistry and Physics. 72nd ed. Boca Raton, FL: CRC Press, 1991-1992., p. 3-22
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANADevaraj et al. 2018
ProkaryotaBacillus Sp.antifungal activity against Fusarium solaniRhizosphere soil of avocadoGuevara-Avendaño et al. 2019
ProkaryotaBurkholderia AmbifariaNAGroenhagen et al. 2013
ProkaryotaPseudomonas AeruginosananaBriard et al. 2016
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiTSATD/GC-MSno
ProkaryotaBacillus Sp.LB agarSPME-GC-MSno
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractyes
ProkaryotaPseudomonas Aeruginosaminimal medium/ Brian mediumSPME-GC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

Compound Details

Synonymous names
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
1123-48-4
4-acetyl-3,5-dimethylpyrazole
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-one
NSC45012
1-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethanone
SCHEMBL1640767
DTXSID50286352
MFCD00234353
NSC-45012
STK070224
AKOS002665027
MCULE-4549522309
NCGC00325046-01
AM802939
AS-39439
DB-013759
CS-0313087
AB01322236-02
Microorganism:

Yes

IUPAC name1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
SMILESCC1=C(C(=NN1)C)C(=O)C
InchiInChI=1S/C7H10N2O/c1-4-7(6(3)10)5(2)9-8-4/h1-3H3,(H,8,9)
FormulaC7H10N2O
PubChem ID239664
Molweight138.17
LogP0.7
Atoms10
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic ketones nitrogen compounds heterocyclic compounds pyrazoles aromatic compounds ketones

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-(1H-pyrrol-2-yl)ethanone

Mass-Spectra

Compound Details

Synonymous names
2-ACETYLPYRROLE
1072-83-9
1-(1H-Pyrrol-2-yl)ethanone
2-acetyl pyrrole
1-(1H-Pyrrol-2-yl)ethan-1-one
2-Pyrrolylethanone
Methyl pyrrol-2-yl ketone
2-Acetyl-1H-pyrrole
Ethanone, 1-(1H-pyrrol-2-yl)-
1-(1h-pyrrol-2-yl)-ethanone
Ketone, methyl pyrrol-2-yl
2-Pyrrolyl methyl ketone
Methyl 2-pyrrolyl ketone
1-(2-Pyrrolyl)-1-ethanone
PYRROLE-B-METHYL KETONE
FEMA No. 3202
1-(1H-pyrrole-2-yl)-ethanone
1-(1H-pyrrol-2-yl)1-ethanone
Pyrrole-alpha-methyl ketone
Pyrrole, 2-acetyl
CHEBI:59981
Methyl 2-pyrryl ketone
1H-Pyrrole, 2-acetyl
MFCD00005220
9K28W7PM6N
DTXSID0047084
NSC-42861
CCRIS 6778
EINECS 214-016-2
NSC 42861
BRN 0001882
UNII-9K28W7PM6N
2-Acetopyrrole
2-acetyl-pyrrole
Pseudoacetylpyrrole
2-Acetyl-1H-indole
Spectrum2_001956
Spectrum3_001993
Pyrryl-alpha-methyl ketone
Epitope ID:136036
BSPBio_003593
SPECTRUM240422
5-21-07-00204 (Beilstein Handbook Reference)
Pyrrole-.alpha.-methyl ketone
SCHEMBL150349
SPBio_002051
2-ACETYLPYRROLE [FCC]
SCHEMBL8153085
CHEMBL1414126
DTXCID8027084
FEMA 3202
KBio3_003031
1-(1H-Pyrrol-2-yl)ethanone #
NSC42861
2-Acetylpyrrole, analytical standard
Ethanone, 1-(1H-pyrrole-2-yl)-
Tox21_300952
BBL010104
CCG-39485
STK801458
1-(1H-Pyrrol-2-yl)ethanone, 9CI
AKOS000120308
AM90575
BS-3734
CS-W013672
HY-W012956
MCULE-8111376055
SB63880
SDCCGMLS-0066967.P001
2-Acetylpyrrole, ReagentPlus(R), 99%
METHYL 2-PYRROLYL KETONE [FHFI]
Methyl 2-pyrrolyl ketone, >=98%, FG
NCGC00095914-01
NCGC00095914-02
NCGC00095914-03
NCGC00254854-01
PD002086
SY011279
CAS-1072-83-9
1-(1H-pyrrol-2-yl)ethanone (acetylpyrrole)
A0894
NS00020922
EN300-17239
F14878
2-Acetylpyrrole, Vetec(TM) reagent grade, 98%
A895652
AI-942/25034253
SR-05000002372
Q-200225
SR-05000002372-1
Q27127005
Z56899162
F8889-9291
InChI=1/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H
2-Acetopyrrole; 2-Pyrrolyl methyl ketone; Ethanone, 1-(1H-pyrrol-2-yl)-; Methyl 2-pyrrolyl ketone
Microorganism:

Yes

IUPAC name1-(1H-pyrrol-2-yl)ethanone
SMILESCC(=O)C1=CC=CN1
InchiInChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
FormulaC6H7NO
PubChem ID14079
Molweight109.13
LogP0.9
Atoms8
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic ketones heterocyclic compounds nitrogen compounds ketones
CHEBI-ID59981
Supernatural-IDSN0144964

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPenicillium RoquefortiNABrock and Dickschat 2013
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPenicillium Roquefortino
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


1-pyridin-2-ylethanone

Mass-Spectra

Compound Details

Synonymous names
2-ACETYLPYRIDINE
1122-62-9
1-(pyridin-2-yl)ethanone
1-pyridin-2-ylethanone
Methyl 2-pyridyl ketone
Acetylpyridine
Ketone, methyl 2-pyridyl
2-Pyridyl methyl ketone
2-Acetopyridine
1-Pyridin-2-yl-ethanone
Ethanone, 1-(2-pyridinyl)-
1-(2-Pyridinyl)ethanone
Acetyl pyridine
1-(Pyridin-2-Yl)Ethan-1-One
MFCD00006303
FEMA No. 3251
FEMA 3251
1-(2-Pyridyl)-1-ethanone
CHEMBL11945
DTXSID7024409
629O10UI3L
2-acetyl pyridine
NSC-15043
30440-88-1
Ethanone, 1-(pyridinyl)-
DTXCID804409
2-Acetylpyridine (natural)
CAS-1122-62-9
CCRIS 7784
1-(2-PYRIDYL)ETHANONE
EINECS 214-355-6
NSC 15043
UNII-AQQ7807JD8
UNII-629O10UI3L
AI3-52210
2-acetyipyridine
2-acetyl-pyridine
1-Pyridin-2-ylmethanone
1-(pyridine-2-yl)ethanone
SCHEMBL55127
1-(2-Pyridinyl)ethanone #
2-Acetylpyridine, >=99%
MLS002152864
AQQ7807JD8
2-ACETYLPYRIDINE [FHFI]
1-(2-Pyridinyl)ethanone, 9CI
2-Acetylpyridine, >=99%, FG
CHEBI:193619
HMS2268O15
1-(2-PYRIDINYL)-ETHANONE
2-ACETYLPYRIDINE [USP-RS]
NSC15043
Tox21_201499
Tox21_303104
BDBM50026891
STL145899
2-Acetylpyridine, analytical standard
AKOS000119795
AB00686
CS-W008602
MCULE-7714885820
NCGC00091706-01
NCGC00091706-02
NCGC00256952-01
NCGC00259050-01
AS-14447
SMR000112288
DB-015932
A0111
AM20061676
NS00018664
EN300-19607
P19605
A802529
doi:10.14272/AJKVQEKCUACUMD-UHFFFAOYSA-N.1
Q-100067
Q4596853
F0001-0271
Z104474432
InChI=1/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H
2-Acetylpyridine, United States Pharmacopeia (USP) Reference Standard
Microorganism:

Yes

IUPAC name1-pyridin-2-ylethanone
SMILESCC(=O)C1=CC=CC=N1
InchiInChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3
FormulaC7H7NO
PubChem ID14286
Molweight121.14
LogP0.9
Atoms9
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic ketones heterocyclic compounds nitrogen compounds pyridines aromatic compounds ketones
CHEBI-ID193619
Supernatural-IDSN0007210

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEnterobacter Agglomeransn/aNASchulz and Dickschat 2007
EukaryotaPleurotus EryngiinanaUsami et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEnterobacter Agglomeransn/an/ano
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno


1-thiophen-3-ylethanone

Compound Details

Synonymous names
3-ACETYLTHIOPHENE
1468-83-3
Ethanone, 1-(3-thienyl)-
1-(thiophen-3-yl)ethan-1-one
Methyl 3-thienyl ketone
1-(thiophen-3-yl)ethanone
1-thiophen-3-ylethanone
1-(3-Thienyl)ethanone
3-acetyl-thiophene
Ketone, methyl 3-thienyl
1-thien-3-ylethanone
XB5SQX2RBW
MFCD00005468
3-Acetyl thiophene
Methyl-3-thienyl ketone
3-Acetothienone
3-Acetylthiopene
EINECS 215-996-4
UNII-XB5SQX2RBW
3-Acetylthiophene, 98%
1-(3-Thienyl)-Ethanone
1-thiophen-3-yl-ethanone
1-(3-Thienyl)ethanone #
SCHEMBL10425
1-(3-thienyl)-1-ethanone
BIDD:GT0041
1-(3-Thienyl)ethanone, 9CI
3-THIENYL METHYL KETONE
RNIDWJDZNNVFDY-UHFFFAOYSA-
DTXSID10163498
CHEBI:179840
GEO-00043
STK503657
AKOS005171624
AC-4928
AM84424
CS-W007361
HY-W007361
MCULE-3092440506
PB17033
PS-5487
SY009376
DB-022174
A1006
NS00024811
EN300-60615
A904927
AI-942/40192066
Q-200397
W-108121
F0001-0524
Z513734012
InChI=1/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3
Microorganism:

Yes

IUPAC name1-thiophen-3-ylethanone
SMILESCC(=O)C1=CSC=C1
InchiInChI=1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3
FormulaC6H6OS
PubChem ID15116
Molweight126.18
LogP1.2
Atoms8
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic ketones thioethers heterocyclic compounds aromatic compounds ketones
CHEBI-ID179840
Supernatural-IDSN0330087

mVOC Specific Details

Boiling Point
DegreeReference
210 median

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptococcus PneumoniaeNANAKaeslin et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptococcus PneumoniaeBHISESI-MSno


1-(3,5-dimethylfuran-2-yl)ethanone

Compound Details

Synonymous names
1-(3,5-dimethylfuran-2-yl)ethanone
22940-86-9
2-Acetyl-3,5-dimethylfuran
1-(3,5-Dimethyl-2-furyl)ethanone
ethanone, 1-(3,5-dimethyl-2-furanyl)-
FEMA No. 4071
1-(3,5-dimethylfuran-2-yl)ethan-1-one
1MFL8Z7ZBB
Ketone, 3,5-dimethyl-2-furyl methyl
3,5-Dimethyl-2-furyl methyl ketone
MFCD00052576
UNII-1MFL8Z7ZBB
2-Acetyl-3,5-dimethyl furan
SCHEMBL9590560
SQWQZVDNBPEROH-UHFFFAOYSA-
DTXSID20177485
CHEBI:179264
1-(3,5-dimethyluran-2-yl)ethanone
AKOS006274859
CS-W021212
DS-5327
MCULE-3602976725
SB61064
1-(3,5-Dimethyl-2-furyl)ethanone #
2-ACETYL-3,5-DIMETHYLFURAN [FHFI]
DB-336684
NS00021880
1-(3 pound not5-Dimethylfuran-2-yl)ethanone
C74181
EN300-325194
A878377
Q27252610
InChI=1/C8H10O2/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3
Microorganism:

Yes

IUPAC name1-(3,5-dimethylfuran-2-yl)ethanone
SMILESCC1=CC(=C(O1)C(=O)C)C
InchiInChI=1S/C8H10O2/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3
FormulaC8H10O2
PubChem ID579675
Molweight138.16
LogP1.8
Atoms10
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic ketones thioethers furan derivatives heterocyclic compounds aromatic compounds ketones
CHEBI-ID179264
Supernatural-IDSN0352956

mVOC Specific Details

Boiling Point
DegreeReference
195 median

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-phenylnonan-1-one

Mass-Spectra

Compound Details

Synonymous names
1-Phenylnonan-1-one
n-Nonanophenone
6008-36-2
Nonanophenone
1-Phenyl-1-nonanone
n-Octyl phenyl ketone
1-Nonanone, 1-phenyl-
octyl phenyl ketone
DJ4KL5XS87
Octylphenylketon
octylphenyl ketone
EINECS 227-861-7
MFCD00048965
NONANOYLBENZENE
PELARGONOPHENONE
PELARGONYLBENZENE
1-phenyl-nonan-1-one
UNII-DJ4KL5XS87
SCHEMBL962848
DTXSID70208819
CHEBI:145973
AKOS009156600
MCULE-4191570385
AS-57233
CS-0206447
N0568
NS00034298
D91731
A869051
Microorganism:

Yes

IUPAC name1-phenylnonan-1-one
SMILESCCCCCCCCC(=O)C1=CC=CC=C1
InchiInChI=1S/C15H22O/c1-2-3-4-5-6-10-13-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
FormulaC15H22O
PubChem ID80108
Molweight218.33
LogP5.1
Atoms16
Bonds8
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids aromatic compounds aromatic ketones ketones
CHEBI-ID145973

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStigmatella Aurantiacan/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStigmatella Aurantiacan/an/ano


1-phenylpentan-1-one

Compound Details

Synonymous names
Valerophenone
1-phenylpentan-1-one
1009-14-9
Butyl phenyl ketone
1-Pentanone, 1-phenyl-
Pentanophenone
1-Phenyl-1-pentanone
2-propylacetophenone
1-phenyl-pentan-1-one
MFCD00009480
CHEBI:36812
F27Q043NT1
NSC-58959
n-Butyl phenyl ketone
UNII-F27Q043NT1
1-Benzoylbutane
NSC58959
EINECS 213-767-3
Valerophenone, 8CI
NSC 58959
Valerophenone, 99%
AI3-09309
SCHEMBL50014
CHEMBL372105
ACETOPHENONE, 3-PROPYL-
DTXSID0061406
XKGLSKVNOSHTAD-UHFFFAOYSA-
AC8072
BBL011454
STL146566
AKOS000120679
CS-W010853
MCULE-2120491215
AS-12867
SY013718
1-phenylpentan-1-one, Butyl phenyl ketone
DB-261413
DB-284654
AM20020075
NS00015053
V0009
EN300-21000
A897297
Q3304162
W-108931
F0001-0049
InChI=1/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
Microorganism:

Yes

IUPAC name1-phenylpentan-1-one
SMILESCCCCC(=O)C1=CC=CC=C1
InchiInChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
FormulaC11H14O
PubChem ID66093
Molweight162.23
LogP3
Atoms12
Bonds4
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids aromatic compounds aromatic ketones ketones
CHEBI-ID36812
Supernatural-IDSN0432483

mVOC Specific Details

Boiling Point
DegreeReference
245 median
Massbank-Links
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001665
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007149
Massbank Spectrum MSBNK-NaToxAq-NA000851
Massbank Spectrum MSBNK-NaToxAq-NA000852
Massbank Spectrum MSBNK-NaToxAq-NA000853
Massbank Spectrum MSBNK-NaToxAq-NA000854
Massbank Spectrum MSBNK-NaToxAq-NA000855
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Massbank Spectrum MSBNK-NaToxAq-NA000979
Massbank Spectrum MSBNK-NaToxAq-NA000980
Massbank Spectrum MSBNK-NaToxAq-NA000981
Massbank Spectrum MSBNK-NaToxAq-NA000982
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Massbank Spectrum MSBNK-NaToxAq-NA001487
Massbank Spectrum MSBNK-NaToxAq-NA001488
Massbank Spectrum MSBNK-NaToxAq-NA001619
Massbank Spectrum MSBNK-NaToxAq-NA001620
Massbank Spectrum MSBNK-NaToxAq-NA001621
Massbank Spectrum MSBNK-NaToxAq-NA001622
Massbank Spectrum MSBNK-NaToxAq-NA001634
Massbank Spectrum MSBNK-NaToxAq-NA001739
Massbank Spectrum MSBNK-NaToxAq-NA001740
Massbank Spectrum MSBNK-NaToxAq-NA001741
Massbank Spectrum MSBNK-NaToxAq-NA001742
Massbank Spectrum MSBNK-NaToxAq-NA001743
Massbank Spectrum MSBNK-NaToxAq-NA001866
Massbank Spectrum MSBNK-NaToxAq-NA001867
Massbank Spectrum MSBNK-NaToxAq-NA001868
Massbank Spectrum MSBNK-NaToxAq-NA001869
Massbank Spectrum MSBNK-NaToxAq-NA001870
Massbank Spectrum MSBNK-NaToxAq-NA001984
Massbank Spectrum MSBNK-NaToxAq-NA001985
Massbank Spectrum MSBNK-NaToxAq-NA001986
Massbank Spectrum MSBNK-NaToxAq-NA001987
Massbank Spectrum MSBNK-NaToxAq-NA001988
Massbank Spectrum MSBNK-NaToxAq-NA002100
Massbank Spectrum MSBNK-NaToxAq-NA002101
Massbank Spectrum MSBNK-NaToxAq-NA002102
Massbank Spectrum MSBNK-NaToxAq-NA002103
Massbank Spectrum MSBNK-NaToxAq-NA002104

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilisantifungal activity against Alternaria solaniisolate from rhizosphere of potato in Shandong and Hebei Province in ChinaZhang et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSyes