Results for:
chemical Classification: aromatic aldehydes

2-hydroxy-4-methylbenzaldehyde

Compound Details

Synonymous names
2-Hydroxy-4-methylbenzaldehyde
698-27-1
4-Methylsalicylaldehyde
BENZALDEHYDE, 2-HYDROXY-4-METHYL-
2,4-Cresotaldehyde
4-Methyl-2-hydroxybenzaldehyde
2-Formyl-5-methylphenol
2-Hydroxy-4-methyl-benzaldehyde
m-Homosalicylaldehyde
4-Methylsalicyclic aldehyde
FEMA No. 3697
MFCD00799550
9N0S26G61J
Homosalicylaldehyde, m-
4-Methyl salicylaldehyde
UNII-9N0S26G61J
EINECS 211-813-7
m-Cresol-6-aldehyde
4-methyl-salicylaldehyde
SCHEMBL225766
2-hydroxy 4-methyl benzaldehyde
DTXSID2074407
FEMA 3697
CHEBI:178982
CL8286
AKOS000112538
2-Hydroxy-4-methylbenzenecarboxaldehyde
AM84040
CS-W007888
HY-W007888
MCULE-4404427908
2-Hydroxy-4-methylbenzaldehyde, >=98%
BP-12466
DS-11894
PD158256
SY050636
A9235
M2431
NS00022709
EN300-83165
2-HYDROXY-4-METHYL BENZALDEHYDE [FHFI]
J-509636
2-Hydroxy-4-methylbenzaldehyde;4-methylsalicylaldehyde
Q15634117
Z1203159482
Microorganism:

No

IUPAC name2-hydroxy-4-methylbenzaldehyde
SMILESCC1=CC(=C(C=C1)C=O)O
InchiInChI=1S/C8H8O2/c1-6-2-3-7(5-9)8(10)4-6/h2-5,10H,1H3
FormulaC8H8O2
PubChem ID61200
Molweight136.15
LogP1.7
Atoms10
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic aldehydes aldehydes phenols benzenoids aromatic compounds benzaldehydes
CHEBI-ID178982
Supernatural-IDSN0170705

mVOC Specific Details

Boiling Point
DegreeReference
760 median

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon InvadensNADickschat et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon InvadensYMG mediumCSLA-GCMSyes


3,5-ditert-butyl-4-hydroxybenzaldehyde

Compound Details

Synonymous names
3,5-Di-tert-butyl-4-hydroxybenzaldehyde
1620-98-0
Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-
3,5-ditert-butyl-4-hydroxybenzaldehyde
3,5-Di-t-butyl-4-hydroxybenzaldehyde
Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-
MFCD00008826
3,5-bis(tert-butyl)-4-hydroxybenzaldehyde
95VTI93VUL
DTXSID7057658
4-Formyl-2,6-di-tert-butylphenol
NSC-14450
3,5-bis(1,1-dimethylethyl)-4-hydroxybenzaldehyde
EINECS 216-592-0
NSC 14450
UNII-95VTI93VUL
BRN 0982526
3,5-ditert-Butyl-4-hydroxy-benzaldehyde
3,5-Di-tert-butyl-4-hydroxy-benzaldehyde
2,6-Di-tert-Butyl-4-formylphenol
NSC14450
4-Hydroxy-3,5-di-tert-butylbenzaldehyde
3,5-di(Tert-butyl)-4-hydroxybenzaldehyde
SCHEMBL85764
4-08-00-00601 (Beilstein Handbook Reference)
CHEMBL225623
DTXCID8031447
SCHEMBL22930710
CHEBI:170060
MAADFVPSLRWBIA-UHFFFAOYSA-N
BCP04892
Tox21_113770
3,5-di-t-butyl4-hydroxybenzaldehyde
BBL010515
STK397393
AKOS000113376
CS-W012903
MCULE-4024560770
MS-3676
3,5,-di-t-butyl-4-hydroxybenzaldehyde
3,5-Di-t-butyl-4-hydroxy benzaldehyde
3,5-ditert.butyl-4-hydroxybenzaldehyde
3,5-di tert.butyl-4-hydroxybenzaldehyde
3,5-di-tert-butyl 4-hydroxybenzaldehyde
3,5-di-tert.butyl-4-hydroxybenzaldehyde
Benzaldehyde,5-di-tert-butyl-4-hydroxy-
NCGC00253643-01
NCGC00253643-02
AC-10539
3,5- di-tert-butyl-4-hydroxybenzaldehyde
3,5-di-tert-butyl-4-hydrox-ybenzaldehyde
3,5-di-tert.-butyl-4-hydroxybenzaldehyde
3,5-di-tert.butyl-4-hydroxy benzaldehyde
4-hydroxy-3,5-di-tert.-butylbenzaldehyde
CAS-1620-98-0
3,5-Di-(tert-butyl)-4-hydroxybenzaldehyde
Benzaldehyde, 4-hydroxy-3,5-di-tert-butyl
DB-022118
3,5-di-tertiary-butyl-4-hydroxybenzaldehyde
AM20050056
NS00009935
EN300-17563
Benzoic aldehyde, 3,5-di-t-butyl-4-hydroxy-
AB01324450-02
3,5-di0T0butyl-4-hydroxybenzaldehyde*hemihydrate
A810339
AE-641/02487004
Benzaldehyde,5-bis(1,1-dimethylethyl)-4-hydroxy-
SR-01000944840
3,5-Ditert-butyl-4-hydroxybenzaldehyde, AldrichCPR
SR-01000944840-1
W-107967
Q27271830
Z56957492
F1673-1281
2,6-Ditert-butyl-4-(hydroxymethylene)-2,5-cyclohexadien-1-one #
2,3,5,6-Detetrahydrocyclohexanone, 2,6-di-t-butyl-4-hydroxymethylene-
3-TERT-BUTYL-2-HYDROXY-.BETA.,.BETA.,5-TRIMETHYLBENZENEETHYL-.BETA.-D-GLUCOSIDURONATE
InChI=1/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H
Microorganism:

Yes

IUPAC name3,5-ditert-butyl-4-hydroxybenzaldehyde
SMILESCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O
InchiInChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3
FormulaC15H22O2
PubChem ID73219
Molweight234.33
LogP4.4
Atoms17
Bonds3
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic aldehydes aldehydes phenols benzaldehydes
CHEBI-ID170060
Supernatural-IDSN0071594

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno


3-chloro-4-methoxybenzaldehyde

Compound Details

Synonymous names
3-Chloro-4-methoxybenzaldehyde
4903-09-7
3-Chloro-p-anisaldehyde
3-Chloroanisaldehyde
Benzaldehyde, 3-chloro-4-methoxy-
3-Chloro-anisaldehyde
3-Chloro-4-methoxybenzenecarbaldehyde
3-Chloro-4-methoxy-benzaldehyde
MFCD00016601
SCHEMBL335717
DTXSID50197671
CHEBI:200810
EINECS 225-532-2
CL8902
STK198720
3-Chloro-4-methoxybenzaldehyde, 97%
AKOS000295169
AM83075
CS-W004738
MCULE-6598481701
SY004242
C1797
NS00044499
EN300-85152
A23104
A827643
12W-0807
J-512240
Z57313891
Microorganism:

No

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
LogP2.2
Atoms11
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic aldehydes ethers aldehydes chlorides benzaldehydes halogenated compounds
CHEBI-ID200810
Supernatural-IDSN0423704

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAnthracophyllum DiscolorNASchalchli et al. 2015
EukaryotaBjerkandera AdustaNASpinnler at al. 1994
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAnthracophyllum Discolorno
EukaryotaBjerkandera Adustano


(E)-3-phenylprop-2-enal

Mass-Spectra

Compound Details

Synonymous names
cinnamaldehyde
trans-Cinnamaldehyde
14371-10-9
104-55-2
Cinnamic aldehyde
Cinnamal
3-Phenylacrylaldehyde
(E)-Cinnamaldehyde
Zimtaldehyde
2-Propenal, 3-phenyl-
(2E)-3-phenylprop-2-enal
3-Phenylpropenal
Phenylacrolein
trans-Cinnamic aldehyde
Cinnamylaldehyde
(E)-3-phenylprop-2-enal
(E)-3-Phenylpropenal
(E)-3-Phenyl-2-propenal
2-propenal, 3-phenyl-, (2E)-
Cassia aldehyde
3-Phenylacrolein
3-phenylprop-2-enal
Cinnemaldehyde
Cinnamyl aldehyde
Abion CA
Cinnamaldehyde, (E)-
trans-Cinnamylaldehyde
Benzylideneacetaldehyde
beta-Phenylcrolein
3-Phenyl-2-propenal
3-Phenyl-2-propenaldehyde
Acrolein, 3-phenyl-
3-Fenylpropenal
FEMA No. 2286
3-Phenyl-2-propen-1-al
trans-3-Phenyl-2-propenal
(E)-Cinnamic aldehyde
NCI-C56111
2-Propenal, 3-phenyl-, (E)-
(2E)-3-phenylacrylaldehyde
.beta.-phenylacrolein
CHEBI:16731
Cinnamaldehyde, trans-
(E)-3-Phenyl-propenal
MFCD00007000
NSC-16935
NSC-40346
SR60A3XG0F
(3E)-3-phenylprop-2-enal
(2E)-3-Phenyl-2-propenal
CHEMBL293492
Aldehyd skoricovy
DTXSID6024834
XC-800
NCGC00091512-04
NSC 16935
WLN: VH1U1R
DTXCID504834
3-phenyl-propenal
Caswell No. 221A
FEMA Number 2286
3-Fenylpropenal [Czech]
Aldehyd skoricovy [Czech]
Cinnamic aldehyde (natural)
Hefty Dog and Cat Repellent
CAS-14371-10-9
CCRIS 3189
CCRIS 6222
Cinnamaldehyde [NF]
HSDB 209
EINECS 203-213-9
UNII-SR60A3XG0F
DTXSID1024835
EPA Pesticide Chemical Code 040506
BRN 0605737
BRN 1071571
e-cinnamaldehyde
AI3-00473
AI3-33275
transcinnamaldehyde
|A-Phenylacrolein
trans cinnamaldehyde
CNMA
(trans)-cinnamaldehyde
trans cinnamic aldehyde
trans-3-Phenylacrolein
CINNAMAL [INCI]
trans-3-phenyl-propenal
(E)-phenylvinyl aldehyde
(E)-3-phenylacrylaldehyde
bmse010257
Epitope ID:150921
CINNAMALDEHYDE [II]
CINNAMALDEHYDE [MI]
EC 203-213-9
trans-3-Phenylacrylaldehyde
Trans-Cinnamaldehyde ,(S)
SCHEMBL3441
trans-Cinnamaldehyde, 99%
(E)-3-phenyl-acrylaldehyde
CINNAMALDEHYDE [FCC]
trans-Cinnamaldehyde; trans-3-Phenylacrylaldehyde
Cinnamaldehyde (trans), neat
CINNAMALDEHYDE [FHFI]
CINNAMALDEHYDE [HSDB]
2-07-00-00273 (Beilstein Handbook Reference)
4-07-00-00984 (Beilstein Handbook Reference)
MLS002454394
CINNAMALDEHYDE (TRANS)
trans-Cinnamaldehyde, >=99%
DTXCID904835
GTPL2423
(E)-cinnamaldehyde (incorrect)
CINNAMALDEHYDE [USP-RS]
CINNAMALDEHYDE [WHO-DD]
trans-cinnamaldehyde (incorrect)
CHEBI:142921
HMS2268O08
HMS3885E04
HY-N0609
NSC16935
NSC40346
Tox21_111144
Tox21_200272
Tox21_201804
Tox21_303271
BDBM50203065
s3763
STK397371
AKOS000119171
Cinnamaldehyde, natural, >=95%, FG
CCG-266119
DB14184
Cinnamaldehyde min. 98%, for synthesis
Cinnamaldehyde 100 microg/mL in Toluene
NCGC00091512-01
NCGC00091512-02
NCGC00091512-05
NCGC00091512-06
NCGC00091512-07
NCGC00257017-01
NCGC00257826-01
NCGC00259353-01
trans-Cinnamaldehyde, analytical standard
AS-12078
AS-75456
CAS-104-55-2
SMR000112334
trans-Cinnamaldehyde, >=98%, FCC, FG
(E)-3-phenyl-2-propenal(E)-cinnamaldehyde
DB-003796
AM20060482
CS-0009609
NS00003408
EN300-19160
C00903
Cinnamaldehyde, Vetec(TM) reagent grade, 93%
D72477
EN300-735819
A801001
Q204036
W-205597
B99DD6C7-1C6D-4FE3-A172-54BFDB987683
Z3219847383
CINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC]
Cinnamaldehyde, United States Pharmacopeia (USP) Reference Standard
InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4
TRANS-CINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC]
Microorganism:

Yes

IUPAC name(E)-3-phenylprop-2-enal
SMILESC1=CC=C(C=C1)C=CC=O
InchiInChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
FormulaC9H8O
PubChem ID637511
Molweight132.16
LogP1.9
Atoms10
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic aldehydes aldehydes benzenoids aromatic compounds benzaldehydes
CHEBI-ID16731
Supernatural-IDSN0187402-02

mVOC Specific Details

Boiling Point
DegreeReference
253 °C peer reviewed
Volatilization
The Henry's Law constant for cinnamaldehyde is estimated as 3.5X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 2.89X10-2 mm Hg(1), and water solubility, 1,420 mg/L(2). This Henry's Law constant indicates that cinnamaldehyde is expected to volatilize from water surfaces(3). 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)(3) is estimated as 290 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)(3) is estimated as 91 days(SRC). Cinnamaldehyde's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Cinnamaldehyde is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Perry RH, Green D; Perry's Chemical Handbook. New York, NY: McGraw Hill (1984) (2) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of cinnamaldehyde is estimated as 37(SRC), using a log Kow of 1.9(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that cinnamaldehyde is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 53 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
2.89X10-2 mm Hg at 25 deg CPerry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)
MS-Links
MS-MS Spectrum 5964 - EI-B (HITACHI M-80B) Positive
MS-MS Spectrum 2311 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 5963 - EI-B (HITACHI RMU-6M) Positive
MS-MS Spectrum 2312 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 182496
MS-MS Spectrum 180164
MS-MS Spectrum 5957 - EI-B (HITACHI RMU-7M) Positive
MS-MS Spectrum 180163
MS-MS Spectrum 180162
MS-MS Spectrum 5961 - EI-B (HITACHI RMU-6M) Positive
MS-MS Spectrum 5965 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive
MS-MS Spectrum 5958 - EI-B (JEOL JMS-D-3000) Positive
MS-MS Spectrum 5962 - CI-B (HITACHI M-80) Positive
MS-MS Spectrum 2310 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 5959 - EI-B (SHIMADZU QP-1000) Positive
MS-MS Spectrum 182498
MS-MS Spectrum 5960 - EI-B (SHIMADZU QP-1000) Positive
MS-MS Spectrum 182497
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaKlebsiella Pneumoniaeclinical isolate,bacteremic patientsRees et al. 2017
ProkaryotaStereum SubpileatumNABirkinshaw et al. 1957
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaKlebsiella PneumoniaeBHI, LB, MHB, TSBSPME / GCxGC-TOFMSno
ProkaryotaStereum Subpileatumno


3,5-dichloro-4-methoxybenzaldehyde

Compound Details

Synonymous names
3,5-dichloro-4-methoxybenzaldehyde
41727-58-6
3,5-Dichloro-anisaldehyde
MFCD04070684
Benzaldehyde, 3,5-dichloro-4-methoxy-
SCHEMBL2391793
CHEBI:214425
LEEKELDJRCUBEM-UHFFFAOYSA-N
STK188427
AKOS000290660
MCULE-5459456675
AS-49512
SY029667
CS-0061916
I11115
Microorganism:

No

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
LogP2.9
Atoms12
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic aldehydes ethers aldehydes benzenoids halogenated compounds aromatic compounds benzaldehydes chlorides
CHEBI-ID214425
Supernatural-IDSN0203027

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAnthracophyllum DiscolorNASchalchli et al. 2015
EukaryotaBjerkandera AdustaNASpinnler at al. 1994
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAnthracophyllum Discolorno
EukaryotaBjerkandera Adustano


Benzene-1,3-dicarbaldehyde

Compound Details

Synonymous names
Isophthalaldehyde
626-19-7
m-Phthalaldehyde
1,3-Benzenedicarboxaldehyde
Isophthaldehyde
benzene-1,3-dicarbaldehyde
1,3-benzenedialdehyde
Isophthaldialdehyde
Isophtaldehydes
Benzene-1,3-dicarboxaldehyde
Isophthalic dicarboxaldehyde
MFCD00003372
LU162B2N9X
NSC-5092
30025-33-3
Isophtaldehydes [French]
3-Phthalaldehyde
NSC 5092
EINECS 210-935-8
BRN 1561038
UNII-LU162B2N9X
isophtalaldehyde
iso-phthalaldehyde
3-formylbenzaldehyde
Isophthalaldehyde, 97%
Benzene 1,3 dicarbaldehyde
BENZENEDICARBOXALDEHYDE
4-07-00-02139 (Beilstein Handbook Reference)
SCHEMBL180566
CHEMBL2289228
HSDB 8459
DTXSID30870718
NSC5092
BCP24518
AKOS003628495
MCULE-3097604055
NCGC00188276-01
AS-10887
BP-10519
SY007029
DB-054216
AM20061091
CS-0015077
I0153
NS00042925
EN300-21269
AT-051/40181211
Isophthalaldehyde, Vetec(TM) reagent grade, 97%
J-521559
Q27283179
InChI=1/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6
Microorganism:

Yes

IUPAC namebenzene-1,3-dicarbaldehyde
SMILESC1=CC(=CC(=C1)C=O)C=O
InchiInChI=1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H
FormulaC8H6O2
PubChem ID34777
Molweight134.13
LogP1.2
Atoms10
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic aldehydes aromatic compounds benzaldehydes aldehydes benzenoids
Supernatural-IDSN0159122

mVOC Specific Details

Boiling Point
DegreeReference
246 °C peer reviewed
Volatilization
The Henry's Law constant for isophthalaldehyde is estimated as 3.4X10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that isophthalaldehyde is expected to be essentially nonvolatile from water and moist soil surfaces(2). Isophthalaldehyde is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 7.8X10-3 mm Hg(SRC), determined from a fragment constant method(1).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of isophthalaldehyde can be estimated to be 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that isophthalaldehyde is expected to have very high mobility in soil(SRC).

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


(E)-4-methyl-2-phenylpent-2-enal

Compound Details

Synonymous names
4-Methyl-2-phenyl-2-pentenal, (E)+(Z)
26643-91-4
4-Methyl-2-phenyl-2-pentenal
1809814-97-8
(E)-4-methyl-2-phenylpent-2-enal
GL417RMH5C
SCHEMBL872649
FEMA NO. 3200, E-
MFCD08533235
(2e)-4-methyl-2-phenyl-2-pentenal
AKOS024348941
4-METHYL-2-PHENYL-2-PENTENAL, (2E)-
Q27279166
Microorganism:

No

IUPAC name(E)-4-methyl-2-phenylpent-2-enal
SMILESCC(C)C=C(C=O)C1=CC=CC=C1
InchiInChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3/b12-8-
FormulaC12H14O
PubChem ID6435914
Molweight174.24
LogP2.9
Atoms13
Bonds3
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds aromatic aldehydes aldehydes benzenoids
Supernatural-IDSN0373754-01

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber MelanosporumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Melanosporumyes


(E)-2-phenylbut-2-enal

Compound Details

Synonymous names
2-PHENYL-2-BUTENAL
(E)-2-phenylbut-2-enal
2-Phenylbutenal
2-Phenylcrotonaldehyde
4411-89-6
alpha-Phenylcrotonaldehyde
(E)-2-Phenylcrotonaldehyde
2-Phenyl-2-butenal, (2E)-
2-Butenal, 2-phenyl
alpha-Ethylidenebenzeneacetaldehyde
FEMA No. 3224, E-
N8EMO6YRV9
55088-52-3
54075-09-1
2-phenylbut-2-enal
2-Phenyl-2-buten-1-al
UNII-N8EMO6YRV9
Crotonaldehyde, 2-phenyl-
UNII-E8991Q8HSC
FEMA No. 3224
Phenylcrotonaldehyd
2-Phenyl-2-butenal, (E)+(Z)
EINECS 224-567-0
2-Phenyl-Crotonaldehyde
Benzeneacetaldehyde, alpha-ethylidene-, (E)-
(2e)-2-phenyl-2-butenal
(2E)-2-phenylbut-2-enal
Benzeneacetaldehyde, alpha-ethylidene-, (alphaE)-
SCHEMBL950633
a-Ethylidene-Benzeneacetaldehyde
E8991Q8HSC
CHEBI:89904
FEMA 3224
2-Phenyl-2-butenal,(E)+(Z)
alpha -ethylidenbenzeneacetaldehyde
DYAOGZLLMZQVHY-MBXJOHMKSA-N
alpha-Ethylidene-Benzeneacetaldehyde
alpha -ethylidene-phenylacetaldehyde
a-Ethylidenebenzeneacetaldehyde, 9CI
EINECS 259-476-5
MFCD00053158
alpha -ethylidene benzene acetaldehyde
AKOS025396900
2-Phenylacetaldehyde, alpha -ethylidene
NS00049278
Q27162088
BENZENEACETALDEHYDE, .ALPHA.-ETHYLIDENE-, (E)-
BENZENEACETALDEHYDE, .ALPHA.-ETHYLIDENE-, (.ALPHA.E)-
Microorganism:

Yes

IUPAC name(E)-2-phenylbut-2-enal
SMILESCC=C(C=O)C1=CC=CC=C1
InchiInChI=1S/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3/b9-2-
FormulaC10H10O
PubChem ID6429333
Molweight146.19
LogP2.2
Atoms11
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds aromatic aldehydes aldehydes benzenoids
CHEBI-ID89904
Supernatural-IDSN0078543-01

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
EukaryotaTuber BorchiinanaSplivallo and Ebeler 2015
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaTuber MelanosporumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaTuber IndicumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaTuber AestivumNoneAgricultural Centre of Castilla and León CommunityDiaz et al. 2003
EukaryotaTuber MelanosporumNoneAgricultural Centre of Castilla and León CommunityDiaz et al. 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaTuber BorchiinaSPME-GC/MS/O); GC-Ryes
EukaryotaTuber Aestivumn/an/ano
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber MelanosporumNoneNoneyes
EukaryotaTuber IndicumNoneNoneyes
EukaryotaTuber AestivumNoneNoneno
EukaryotaTuber MelanosporumNoneNoneno


3-methoxy-2-trimethylsilyloxybenzaldehyde

Compound Details

Synonymous names
o-Vanillin, TMS derivative
NVFQNBMOSVRDKT-UHFFFAOYSA-N
3-methoxy-2-[(trimethylsilyl)oxy]benzaldehyde
EN300-45209690
2-Hydroxy-3-methoxybenzaldehyde, trimethylsilyl ether
Microorganism:

Yes

IUPAC name3-methoxy-2-trimethylsilyloxybenzaldehyde
SMILESCOC1=CC=CC(=C1O[Si](C)(C)C)C=O
InchiInChI=1S/C11H16O3Si/c1-13-10-7-5-6-9(8-12)11(10)14-15(2,3)4/h5-8H,1-4H3
FormulaC11H16O3Si
PubChem ID91734149
Molweight224.33
LogP0
Atoms15
Bonds4
H-bond Acceptor3
H-bond Donor0
Chemical Classificationaromatic compounds aromatic aldehydes organosilicon compounds aldehydes benzaldehydes benzenoids

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-methoxy-4-methylbenzaldehyde

Compound Details

Synonymous names
2-Methoxy-4-methylbenzaldehyde
57415-35-7
2-Methoxy-4-methyl-benzaldehyde
Benzaldehyde, 2-methoxy-4-methyl-
MFCD06248007
SCHEMBL96209
DTXSID60423690
BBL034934
SC3771
STL412002
AKOS000108228
AC-4314
CS-W021710
DS-3447
MCULE-6467981343
SY011760
DB-072300
A8185
AM20040748
EN300-110529
Z1198168470
Microorganism:

No

IUPAC name2-methoxy-4-methylbenzaldehyde
SMILESCC1=CC(=C(C=C1)C=O)OC
InchiInChI=1S/C9H10O2/c1-7-3-4-8(6-10)9(5-7)11-2/h3-6H,1-2H3
FormulaC9H10O2
PubChem ID6423793
Molweight150.17
LogP2.1
Atoms11
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids aromatic aldehydes aromatic compounds aldehydes benzaldehydes ethers

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon InvadensNADickschat et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon InvadensYMG mediumCSLA-GCMSno


2,5-bis(trimethylsilyloxy)benzaldehyde

Mass-Spectra

Compound Details

Synonymous names
Benzaldehyde, 2,5-bis[(trimethylsilyl)oxy]-
56114-69-3
2,5-bis(trimethylsilyloxy)benzaldehyde
OGDNDISFPNBJNB-UHFFFAOYSA-N
2,5-Dihydroxybenzaldehyde, 2TMS derivative
2,5-Bis[(trimethylsilyl)oxy]benzaldehyde #
Microorganism:

Yes

IUPAC name2,5-bis(trimethylsilyloxy)benzaldehyde
SMILESC[Si](C)(C)OC1=CC(=C(C=C1)O[Si](C)(C)C)C=O
InchiInChI=1S/C13H22O3Si2/c1-17(2,3)15-12-7-8-13(11(9-12)10-14)16-18(4,5)6/h7-10H,1-6H3
FormulaC13H22O3Si2
PubChem ID622536
Molweight282.48
LogP0
Atoms18
Bonds5
H-bond Acceptor3
H-bond Donor0
Chemical Classificationaromatic aldehydes aldehydes aromatic compounds benzenoids benzaldehydes organosilicon compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStenotrophomonas Maltophiliaantifungal activity against Colletotrichum nymphaeaeisolated from the healthy strawberry leaf in Kamyaran, Kurdistan provinceAlijani et al. 2020
ProkaryotaMoraxella Catarrhalishumans, respiratory infectionsAbd El Qader et al. 2015
ProkaryotaHaemophilus Influenzaehumans, respiratory infectionsAbd El Qader et al. 2015
ProkaryotaLegionella Pneumophilahumans, respiratory infectionsAbd El Qader et al. 2015
ProkaryotaMoraxella Catarrhaliscould serve as potential biomarkers to distinguish between viruses and bacteriaNAAbd El Qader et al. 2015
ProkaryotaHaemophilus Influenzaecould serve as potential biomarkers to distinguish between viruses and bacteriaNAAbd El Qader et al. 2015
ProkaryotaLegionella Pneumophilacould serve as potential biomarkers to distinguish between viruses and bacteriaNAAbd El Qader et al. 2015
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStenotrophomonas MaltophiliaNA mediaGC-MSno
ProkaryotaMoraxella Catarrhalisblood culture mediumSPME-GC-MSno
ProkaryotaHaemophilus Influenzaeblood culture mediumSPME-GC-MSno
ProkaryotaLegionella Pneumophilablood culture mediumSPME-GC-MSno
ProkaryotaMoraxella Catarrhalisblood cultureSPME/GC-MS no
ProkaryotaHaemophilus Influenzaeblood cultureSPME/GC-MS no
ProkaryotaLegionella Pneumophilablood cultureSPME/GC-MS no
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1-ethylimidazole

Mass-Spectra

Compound Details

Synonymous names
1-Ethylimidazole
1-Ethyl-1H-imidazole
7098-07-9
N-Ethylimidazole
Imidazole, 1-ethyl-
1H-Imidazole, 1-ethyl-
1-Ethylimidazole, >98%
T49PA5I372
MFCD00055389
1-ethyl imidazole
1-Ethyl-1H-imidazole #
CHEMBL13911
UNII-T49PA5I372
DTXSID10221209
EINECS 230-403-9
STL583912
AKOS000274662
AC-7525
CS-W011340
MCULE-1925854308
PS-9345
PD163435
DB-055475
E0132
NS00001048
EN300-53759
D70860
EC 230-403-9
W-104539
1-Ethylimidazole, produced by BASF, >=95.0% (HPLC)
Z286789018
InChI=1/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H
Microorganism:

Yes

IUPAC name1-ethylimidazole
SMILESCCN1C=CN=C1
InchiInChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3
FormulaC5H8N2
PubChem ID81540
Molweight96.13
LogP0.3
Atoms7
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds aromatic aldehydes nitrogen compounds heterocyclic compounds aldehydes imidazoles

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Pumilusn/aNAWei-wei et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Pumilusn/an/ano


4-methoxybenzaldehyde

Mass-Spectra

Compound Details

Synonymous names
4-Methoxybenzaldehyde
123-11-5
P-ANISALDEHYDE
Anisic aldehyde
Anisaldehyde
p-Methoxybenzaldehyde
Aubepine
4-Anisaldehyde
Benzaldehyde, 4-methoxy-
p-Formylanisole
Crategine
Obepin
p-Anisic aldehyde
para-anisaldehyde
4-Methoxy-benzaldehyde
Formylanisole, p-
anisal
Caswell No. 051E
FEMA No. 2670
NSC 5590
CCRIS 821
4-methoxy benzaldehyde
MFCD00003385
para-methoxybenzaldehyde
p-Methoxybenzaldehyde (natural)
HSDB 2641
EINECS 204-602-6
UNII-9PA5V6656V
p-methoxy benzaldehyde
DTXSID2026997
AI3-00223
9PA5V6656V
NSC-5590
50984-52-6
p-Methoxybenzaldehyde-13C6
CHEMBL161598
DTXCID906997
CHEBI:28235
EC 204-602-6
P-ANISALDEHYDE (USP-RS)
P-ANISALDEHYDE [USP-RS]
p-Anisaldehyde,p-Methoxybenzaldhyde
CAS-123-11-5
MEPYRAMINE MALEATE IMPURITY P (EP IMPURITY)
MEPYRAMINE MALEATE IMPURITY P [EP IMPURITY]
anisaldehyd
Anis aldehyde
FEMA 2670
4-methoxybenzaldehye
4-methoxybezaldehyde
EINECS 256-891-3
Anisaldehyde (para)
P-Anisaldehyde,(S)
4-methoxylbenzaldehyde
p-Anisaldehyde, 8CI
4-methoxybenzylaldehyde
BRN 0471382
p-Anisaldehyde, 98%
p-Anisaldehyde, Reagent
benzaldehyde, 4-methoxy
para-methoxy benzaldehyde
4-(methyloxy)benzaldehyde
bmse010130
WLN: VHR DO1
ANISALDEHYDE [INCI]
SCHEMBL1100
P-ANISALDEHYDE [MI]
68894-36-0
MLS002152921
P-ANISALDEHYDE [HSDB]
p-Methoxybenzylidenemalonitrile
4-methoxybenzene carboxaldehyde
PARA- METHOXYBENZALDEHYDE
NSC5590
HMS3039F08
p-Anisaldehyde, analytical standard
P-METHOXYBENZALDEHYDE [FCC]
HY-Y0740
p-Anisaldehyde, natural, 98%, FG
P-METHOXYBENZALDEHYDE [FHFI]
Tox21_201943
Tox21_303331
AC7808
BDBM50139370
s5086
STL194068
AKOS000118814
CCG-214805
CS-W020189
MCULE-9537754812
p-Anisaldehyde (4-Methoxybenzaldehyde)
p-Anisaldehyde, for synthesis, 98.0%
NCGC00090807-01
NCGC00090807-02
NCGC00257076-01
NCGC00259492-01
p-Anisaldehyde, >=97.5%, FCC, FG
AC-10379
CS-11005
SMR001224521
SY001689
DB-012818
A0480
BENZALDEHYDE,4-METHOXY MFC8 H8 O2
NS00003331
EN300-16096
4-08-00-00252 (Beilstein Handbook Reference)
A805017
Q174937
Q-100105
Z53833125
F2190-0575
p-Anisaldehyde, primary pharmaceutical reference standard
p-Anisaldehyde, certified reference material, TraceCERT(R)
p-Anisaldehyde, United States Pharmacopeia (USP) Reference Standard
InChI=1/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H
Microorganism:

Yes

IUPAC name4-methoxybenzaldehyde
SMILESCOC1=CC=C(C=C1)C=O
InchiInChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
FormulaC8H8O2
PubChem ID31244
Molweight136.15
LogP1.8
Atoms10
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids aromatic aldehydes aldehydes aromatic compounds benzaldehydes ethers
CHEBI-ID28235
Supernatural-IDSN0478525

mVOC Specific Details

Boiling Point
DegreeReference
255 °C peer reviewed
Volatilization
The Henry's Law constant for p-anisaldehyde is estimated as 1.4X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 3.29X10-2 mm Hg(1), and water solubility, 4.29X10+3 mg/L(2). This Henry's Law constant indicates that p-anisaldehyde is expected to volatilize from water surfaces(3). 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)(3) is estimated as 20 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 230 days(SRC). p-Anisaldehyde's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). p-Anisaldehyde has a vapor pressure of 3.29X10-2 mm Hg at 25 °C(1) and exists as a liquid under environmental conditions; therefore, p-anisaldehyde may volatilize from dry soil(SRC).
Soil Adsorption
The Koc of p-anisaldehyde is estimated as 53(SRC), using a log Kow of 1.76(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that p-anisaldehyde is expected to have high mobility in soil.
Vapor Pressure
PressureReference
1 MM HG @ 73 DEG CClayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 2663
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaClitocybe OdoraNARapior et al. 2002
EukaryotaLentinellus CochleatusNARapior et al. 2002
EukaryotaDaedalea Juniperinan/aNAStotzky and Schenck 1976
EukaryotaTrametes SuaveolensNABirkinshaw et al. 1945
ProkaryotaPolyporus BenzoinusNABirkinshaw et al. 1952
EukaryotaBjerkandera AdustaNASpinnler at al. 1994
EukaryotaBjerkandera Adustan/aNALapadatescu et al. 2000
ProkaryotaLactobacillus PlantarumZhang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaClitocybe Odorahydro-destillation, solvent extraction, GC-MSno
EukaryotaLentinellus Cochleatushydro-destillation, solvent extraction, GC-MSno
EukaryotaDaedalea Juniperinan/an/ano
EukaryotaTrametes Suaveolensno
ProkaryotaPolyporus Benzoinusno
EukaryotaBjerkandera Adustano
EukaryotaBjerkandera AdustaMinimal media plus glucose and L-phenylalanineExtraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.no
ProkaryotaLactobacillus PlantarumHabanero pepperGC–IMSno


1H-imidazole-2-carbaldehyde

Compound Details

Synonymous names
10111-08-7
1H-Imidazole-2-carbaldehyde
Imidazole-2-carboxaldehyde
2-Formylimidazole
1H-IMIDAZOLE-2-CARBOXALDEHYDE
2-Imidazolecarboxaldehyde
imidazole-2-aldehyde
MFCD00003544
Imidazole-2-carbaldehyde
1H-Imidazolecarboxaldehyde
2-Formyl-1H-imidazole
formylimidazole
Isovalericacid
imidazolealdehyde
2-formyl imidazole
2-formyl-imidazole
imidazole carbaldehyde
imidazolecarboxaldehyde
2-imidazolecarbaldehyde
2-imidazol-carbaldehyde
imidazol-2-carbaldehyde
2-imidazolcarboxaldehyde
imidazole-2-carboxaldeyde
2-imidazole carboxaldehyde
2-imidazole-carboxaldehyde
imidazole 2-carboxaldehyde
1H-2-imidazolecarbaldehyde
1H-imidazol-2-carbaldehyd
2-Formyl imidazole (Imidazole-2-carboxaldehyde)
1H-imidazole-2 carbaldehyde
1H-imidazole-2-carboaldehyde
YSWG441
1-H-imidazole-2-carbaldehyde
1H-Imidazole-2-carbaldehyde #
2-Imidazolecarboxaldehyde, 97%
DTXSID70143736
BCP27080
STR04050
BBL104408
STK503765
AKOS004910734
AC-6503
CS-W007321
HY-W007321
MCULE-7353417190
PB47438
PS-9350
BP-12787
SY014217
DB-005097
AM20070660
I0809
NS00023025
EN300-52542
A16251
W-200646
F8880-2426
Microorganism:

Yes

IUPAC name1H-imidazole-2-carbaldehyde
SMILESC1=CN=C(N1)C=O
InchiInChI=1S/C4H4N2O/c7-3-4-5-1-2-6-4/h1-3H,(H,5,6)
FormulaC4H4N2O
PubChem ID24955
Molweight96.09
LogP-0.1
Atoms7
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic aldehydes aromatic compounds imidazoles heterocyclic compounds aldehydes 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


2,4,5-trimethoxybenzaldehyde

Mass-Spectra

Compound Details

Synonymous names
2,4,5-TRIMETHOXYBENZALDEHYDE
4460-86-0
Asaraldehyde
Asarylaldehyde
Asaronaldehyde
Azarylaldehyde
Gazarin
3,4,6-Trimethoxybenzaldehyde
Benzaldehyde, 2,4,5-trimethoxy-
14374-62-0
NSC 89299
2,4,5-trimethoxy-benzaldehyde
NCI-C61632
MFCD00003312
NDU8J2Q00D
2,4,5-trimethoxylbenzaldehyde
2,4,5-Trimethoxy benzaldehyde
DTXSID1022217
NSC-89299
NCGC00091253-05
SMR000112148
CCRIS 1296
HSDB 4502
EINECS 224-713-3
UNII-NDU8J2Q00D
BRN 1951403
AI3-36671
Acrolein(Propenal)
Spectrum_000818
Spectrum2_000386
Spectrum3_000170
Spectrum4_001759
Spectrum5_000618
2,5-Trimethoxybenzaldehyde
3,6-Trimethoxybenzaldehyde
Asaraldehyde (Asaronaldehyde)
BSPBio_001639
KBioGR_002238
KBioSS_001298
SPECTRUM200208
4-08-00-02715 (Beilstein Handbook Reference)
MLS002473312
MLS002695891
MLS006011864
2,4,5-Trimethoxybenzaldheyde
SCHEMBL333451
SPBio_000571
2,4,5-Trimethoxy-benzaldehyd
3,4, 6-Trimethoxybenzaldehyde
DTXCID702217
CHEMBL1164301
2,4,5-tri-methoxy benzaldehyde
KBio2_001298
KBio2_003866
KBio2_006434
KBio3_001139
CHEBI:113543
Asarylaldehyde, analytical standard
BCPP000436
HMS1922P08
HMS2268O16
HMS3656M12
HMS3884N06
BCP02914
NSC89299
Tox21_400070
BBL011033
CCG-38657
CK2093
s2531
STK802187
2,4,5-Trimethoxybenzaldehyde, 98%
AKOS000119399
AC-4247
BCP9000230
CS-6035
MCULE-7174618286
PS-6109
SDCCGMLS-0066425.P001
NCGC00091253-01
NCGC00091253-02
NCGC00091253-03
NCGC00091253-04
NCGC00091253-06
NCGC00091253-07
TRIMETHOXYBENZALDEHYDE, 2,4,5-
SY015794
2,4,5-Trimethoxybenzaldehyde, 9CI, 8CI
BCP0726000304
CAS-4460-86-0
DB-051236
HY-100580
2,4,5-TRIMETHOXYBENZALDEHYDE [HSDB]
NS00015122
SW219241-1
T1172
EN300-20248
A26620
AP-065/41884113
SR-05000002433
Q-100162
SR-05000002433-1
BRD-K88219015-001-02-5
BRD-K88219015-001-05-8
Q27194435
F2190-0582
Z104477478
2,4,5-Trimethoxybenzaldehyde, Vetec(TM) reagent grade, 98%
InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H
Microorganism:

No

IUPAC name2,4,5-trimethoxybenzaldehyde
SMILESCOC1=CC(=C(C=C1C=O)OC)OC
InchiInChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3
FormulaC10H12O4
PubChem ID20525
Molweight196.2
LogP1.3
Atoms14
Bonds4
H-bond Acceptor4
H-bond Donor0
Chemical Classificationbenzenoids aromatic aldehydes aromatic compounds aldehydes benzaldehydes ethers
CHEBI-ID113543
Supernatural-IDSN0140345

mVOC Specific Details

Boiling Point
DegreeReference
140 median, REST, convertet to C
Vapor Pressure
PressureReference
1.13X10-3 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of Feb 19, 2007: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAntrodia CamphorataNAChiang et al. 2013
EukaryotaAntrodia CinnamomeaNAChen et al. 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAntrodia Camphoratano
EukaryotaAntrodia Cinnamomeano


1-imidazol-1-ylethanone

Mass-Spectra

Compound Details

Synonymous names
1-Acetylimidazole
N-Acetylimidazole
2466-76-4
1-(1H-imidazol-1-yl)ethanone
1H-Imidazole, 1-acetyl-
Acetylimidazole
1-Acetyl-1H-imidazole
1-imidazol-1-ylethanone
IMIDAZOLE, 1-ACETYL-
1-(1H-imidazol-1-yl)ethan-1-one
Ethanone, 1-(1H-imidazol-1-yl)-
MFCD00005287
ZMP8X1Y11G
CHEBI:16984
3-acetylimidazole
CCRIS 6534
EINECS 219-577-7
UNII-ZMP8X1Y11G
BRN 0108425
N-acetyl imidazole
1- acetylimidazole
1-acetyl imidazole
1-Acetylimidazole, 98%
Imidazole N-1 deriv. 5
OZAGREL IMPURITY 1
1-Acetyl-1H-imidazole #
1-(methylcarbonyl)imidazole
SCHEMBL26238
5-23-04-00218 (Beilstein Handbook Reference)
MLS001074864
BDBM7944
CHEMBL1592087
DTXSID8062440
HMS2234I07
AKOS005208084
AC-7521
NCGC00246992-01
AS-11932
SMR000568396
SY049533
DB-031677
A0694
A5057
AM20090278
CS-0010103
NS00046189
C02560
EN300-748826
1-(1H-imidazol-1-yl)ethanone;N-Acetylimidazole
1-Acetylimidazole, Vetec(TM) reagent grade, 98%
1,1-[but-2-yne-1,4-diylbis(oxy)]bispropan-2-ol
Q-102345
Q27102162
Z1255402643
Microorganism:

No

IUPAC name1-imidazol-1-ylethanone
SMILESCC(=O)N1C=CN=C1
InchiInChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3
FormulaC5H6N2O
PubChem ID17174
Molweight110.11
LogP-0.3
Atoms8
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic aldehydes imidazoles nitrogen compounds heterocyclic compounds aldehydes aromatic compounds
CHEBI-ID16984
Supernatural-IDSN0391079

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno


3,4-dimethoxybenzaldehyde

Mass-Spectra

Compound Details

Synonymous names
3,4-Dimethoxybenzaldehyde
VERATRALDEHYDE
120-14-9
Veratric aldehyde
Methylvanillin
Benzaldehyde, 3,4-dimethoxy-
Vanillin methyl ether
Veratral
Veratrum aldehyde
Veratryl aldehyde
p-Veratric aldehyde
4-O-Methylvanillin
3,4-Dimethoxy benzaldehyde
3,4-Dimethoxybenzenecarbonal
Protocatechualdehyde dimethyl ether
Protocatechuic aldehyde dimethyl ether
3,4-DIMETHOXY-BENZALDEHYDE
Protocatechuecaldehyde dimethyl ether
MFCD00003363
NSC 24521
FEMA No. 3109
3, 4-Dimethoxybenzaldehyde
UI88P68JZD
DTXSID7026285
CHEBI:17098
NSC-8500
NSC-24521
Benzaldehyde, 3-methoxy-4-(methoxy-d3)-
Benzaldehyde,4-dimethoxy-
WLN: VHR CO1 DO1
DTXCID406285
Methyl vanillin
CAS-120-14-9
CCRIS 6285
EINECS 204-373-2
UNII-UI88P68JZD
BRN 0473899
veratrumald
ratryl aldehyde
Veratrumaldehyde
AI3-08099
FEMA 3109
3,4-dimethoxy
3,4dimethoxybenzaldehyde
3,4-dimethoxybenzaldehyde (veratraldehyde)
3,4-dimethoxybenzaldeyde
3,4 dimethoxybenzaldehyde
3,4-dimethoxybenzaidehyde
4,3-dimethoxybenzaldehyde
4,5-dimethoxybenzaldehyde
bmse010220
VERATRALDEHYDE [MI]
VERATRALDEHYDE [FCC]
SCHEMBL25202
VERATRALDEHYDE [FHFI]
Veratraldehyde, >=98%, FG
CHEMBL1088937
NSC8500
3,4-Dimethoxybenzaldehyde, 99%
HY-N1096
NSC24521
Tox21_201566
Tox21_303074
BBL010373
s3214
STK188425
AKOS000118989
CS-W019906
Dimethoxy-Benzaldehyde-O-Methylvanillin
MCULE-1202068347
NCGC00091642-01
NCGC00091642-02
NCGC00091642-03
NCGC00257217-01
NCGC00259115-01
AC-10201
AC-34441
AS-11996
SY004136
Benzaldehyde, 3,4-dimethoxy-veratraldehyde
Veratraldehyde (3,4-Dimethoxybenzaldehyde)
DB-014213
AM20050100
D0507
NS00013328
EN300-16145
C02201
AH-034/32845024
Q414395
W-108485
Z53837671
F2190-0618
VERAPAMIL HYDROCHLORIDE IMPURITY G [EP IMPURITY]
InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H
Microorganism:

No

IUPAC name3,4-dimethoxybenzaldehyde
SMILESCOC1=C(C=C(C=C1)C=O)OC
InchiInChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3
FormulaC9H10O3
PubChem ID8419
Molweight166.17
LogP1.5
Atoms12
Bonds3
H-bond Acceptor3
H-bond Donor0
Chemical Classificationbenzenoids aromatic aldehydes aldehydes aromatic compounds benzaldehydes ethers
CHEBI-ID17098
Supernatural-IDSN0412195

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaBjerkandera Adustan/aNALapadatescu et al. 2000
EukaryotaBjerkandera AdustaNASpinnler at al. 1994
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaBjerkandera AdustaMinimal media plus glucose and L-phenylalanineExtraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.no
EukaryotaBjerkandera Adustano


2-hydroxybenzaldehyde

Compound Details

Synonymous names
SALICYLALDEHYDE
2-Hydroxybenzaldehyde
90-02-8
o-Hydroxybenzaldehyde
o-Formylphenol
Salicylal
2-Formylphenol
Salicylic aldehyde
Salicyladehyde
Benzaldehyde, 2-hydroxy-
Salicylaldehyd
Salizylaldehyd
Benzaldehyde, o-hydroxy-
2-HYDROXY-BENZALDEHYDE
FEMA No. 3004
NSC 49178
CCRIS 7451
HSDB 721
salicylylaldehyde
EINECS 201-961-0
MFCD00003317
UNII-17K64GZH20
BRN 0471388
DTXSID1021792
CHEBI:16008
2-hydroxy benzaldehyde
AI3-02174
17K64GZH20
NSC-49178
CHEMBL108925
DTXCID001792
EC 201-961-0
4-08-00-00176 (Beilstein Handbook Reference)
NSC-83559
NSC-83560
NSC-83561
NSC-83562
NSC-97202
NSC-112278
Benzaldehyde, hydroxy-
salicyl aldehyde
CAS-90-02-8
27761-48-4
2-Hydroxy(formyl-~13~C)benzaldehyde
2-(~2~H)Hydroxy(formyl-~2~H_5_)benzaldehyde
Salicylylal
28777-87-9
hydroxylbenzaldehyde
hydroxy benzaldehyde
Dembrexine Hydrochloride Monohydrate Imp. D (EP); Dembrexine Imp. D (EP); 2-Hydroxybenzaldehyde; Salicylaldehyde; Dembrexine Hydrochloride Monohydrate Impurity
hydroxyl benzaldehyde
2-hyroxy-benzaldehyde
2-oxidanylbenzaldehyde
o-hydroxy benzaldehyde
Salicylaldehyde, 8CI
2- hydroxybenzaldehyde
Benzaldehyde, o-hydroxy
benzaldehyde, 2-hydroxy
WLN: VHR BQ
bmse000677
SALICYLALDEHYDE [MI]
SCHEMBL15395
SALICYLALDEHYDE [FCC]
SALICYLALDEHYDE [FHFI]
SALICYLALDEHYDE [HSDB]
Salicylaldehyde, >=98%, FG
FEMA 3004
Salicylaldehyde, p.a., 99.0%
BCP31374
CS-D1188
NSC49178
Salicylaldehyde, analytical standard
Tox21_201737
Tox21_302929
BDBM50139367
NSC187662
Salicylaldehyde, reagent grade, 98%
STL194289
AKOS000119187
2-hydroxybenzaldehyde (salicylaldehyde)
MCULE-8965879140
NSC-187662
NCGC00249108-01
NCGC00256460-01
NCGC00259286-01
AS-13997
NS00013184
Salicylaldehyde, redist., >=99.0% (GC)
EN300-18033
C06202
H-3700
A843413
Q414492
Z57127523
F2190-0607
2-Hydroxybenzaldehyde;o-Hydroxybenzaldehyde;o-Formylphenol
InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9
Microorganism:

Yes

IUPAC name2-hydroxybenzaldehyde
SMILESC1=CC=C(C(=C1)C=O)O
InchiInChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
FormulaC7H6O2
PubChem ID6998
Molweight122.12
LogP1.8
Atoms9
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic aldehydes aldehydes aromatic compounds benzenoids benzaldehydes phenols
CHEBI-ID16008
Supernatural-IDSN0349719

mVOC Specific Details

Boiling Point
DegreeReference
197 °C peer reviewed
Volatilization
The Henry's Law constant for 2-hydroxybenzaldehyde is estimated as 5.6X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 5.93X10-1 mm Hg(1), and water solubility, 1.7X10+4 mg/L(2). This Henry's Law constant indicates that salicylaldehyde is expected to volatilize from water surfaces(3). 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)(3) is estimated as 5 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 57 days(SRC). 2-Hydroxybenzaldehyde's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of salicylaldehyde from dry soil surfaces may exist(SRC) based upon a vapor pressure close to one and the compound exists as an odorous liquid under environmental conditions.
Soil Adsorption
The Koc of 2-hydroxybenzaldehyde is estimated as 73(SRC), using a log Kow of 1.81(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-hydroxybenzaldehyde is expected to have high mobility in soil.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaShigella SonneiChina Center of Industrial Culture collectionWang et al. 2018
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaShigella SonneiSodium chloride brothSPME, GC-MSno


1H-pyrrole-2-carbaldehyde

Compound Details

Synonymous names
1H-Pyrrole-2-carbaldehyde
PYRROLE-2-CARBOXALDEHYDE
1003-29-8
2-Formylpyrrole
1H-Pyrrole-2-carboxaldehyde
Pyrrole-2-aldehyde
2-Pyrrolecarbaldehyde
2-Pyrrolecarboxaldehyde
254729-95-8
Pyrrole-2-carbaldehyde
2-Pyrrolylcarboxaldehyde
2-Pyrrolaldehyde
alpha-Pyrrolaldehyde
2-Pyrrolcarbaldehyde
Pyrrol-2-carboxaldehyde
2-carboxaldehyde-1H-pyrrole
1H-pyrrole-2-carboxyaldehyde
MFCD00005217
1-Pyrrole-2-carboxaldehyde
CHEBI:59978
NSC 66394
NSC 112885
1(H)-pyrrole carboxaldehyde
068TSM6S6P
NSC-66394
NSC-112885
1H-Pyrrole-2-carboxaldehyde,radical ion(1-) (9CI)
1H-Pyrrolecarboxaldehyde
pyrrole carboxaldehyde
2-Formyl-1H-pyrrole
UNII-068TSM6S6P
formyl-pyrrole
pyrrole aldehyde
2-Formyl-pyrrole
2-pyrrolaldehyde;
pyrrol-2-aldehyde
2-pyrrole aldehyde
EINECS 213-705-5
pyrrole-carboxaldehyde
2-pyrrolcarboxaldehyde
pyrrol-2-carbaldehyde
2-pyrrole carbaldehyde
pyrrole-2-formaldehyde
.alpha.-Pyrrolaldehyde
2-pyrrole carboxaldehyde
pyrrole 2-carboxaldehyde
AI3-35104
Epitope ID:136032
1H-Pyrrole-2-carbaldehyde #
1( H)-Pyrrole carboxaldehyde
CHEMBL2229658
DTXSID3061392
Pyrrole-2-carboxaldehyde, 98%
Pyrrole-2-carboxaldehyde (8CI)
BCP13856
CS-D0925
NSC66394
STR01055
NSC112885
STK320567
AKOS000120434
AB00388
AC-4316
MCULE-4586543663
PS-9355
SB62018
BP-10720
HY-77817
SY001497
DB-030991
AM20070639
NS00021428
P1246
EN300-20526
A16168
Q-101975
BRD-K20608729-001-01-9
Q27127003
F0001-2423
Z104478580
InChI=1/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6
1H-Pyrrole-2-carboxaldehyde; 2-Pyrrolecarbaldehyde;2-Formylpyrrole
Microorganism:

Yes

IUPAC name1H-pyrrole-2-carbaldehyde
SMILESC1=CNC(=C1)C=O
InchiInChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H
FormulaC5H5NO
PubChem ID13854
Molweight95.1
LogP0.6
Atoms7
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds aromatic aldehydes heterocyclic compounds aldehydes nitrogen compounds
CHEBI-ID59978
Supernatural-IDSN0479049

mVOC Specific Details

Boiling Point
DegreeReference
216 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


2,4-dimethylbenzaldehyde

Compound Details

Synonymous names
2,4-Dimethylbenzaldehyde
15764-16-6
Benzaldehyde, 2,4-dimethyl-
2,4-dimethyl benzaldehyde
2,4-Xylylaldehyde
1-Formyl-2,4-dimethylbenzene
2,4-Dimethylbenzenecarboxaldehyde
2,4-dimethyl-benzaldehyde
FEMA No. 3427
m-Xylene-4-carboxaldehyde
I06YU18H4A
MFCD00003340
UNII-I06YU18H4A
m-Xylylaldehyde
2,4-TRIMETHYL BENZALDEHYDE
EINECS 239-856-7
2,3-Dimethybenzaldehyde
SCHEMBL95501
FEMA 3427
DTXSID60166297
CHEBI:178624
2,4-Dimethylbenzaldehyde, >=90%
AMY37066
NSC804813
STL185603
AKOS000120288
AC-3324
CS-W011068
MCULE-1493561781
NSC-804813
2,4-DIMETHYLBENZALDEHYDE [FHFI]
DS-15791
SY004505
DB-023755
D2392
NS00018667
EN300-20657
2,4-Dimethylbenzaldehyde, technical grade, 90%
A809861
2,4-Xylylaldehyde; 1-Formyl-2,4-dimethyl benzene
W-108000
Q27280189
2,4-Dimethylbenzaldehyde, Vetec(TM) reagent grade, 95%
Z104479608
InChI=1/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H
Microorganism:

Yes

IUPAC name2,4-dimethylbenzaldehyde
SMILESCC1=CC(=C(C=C1)C=O)C
InchiInChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3
FormulaC9H10O
PubChem ID61814
Molweight134.17
LogP2.5
Atoms10
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic compounds benzaldehydes aromatic aldehydes aldehydes benzenoids
CHEBI-ID178624
Supernatural-IDSN0106846

mVOC Specific Details

Boiling Point
DegreeReference
102.5 median

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANADixon et al. 2022
EukaryotaDebaryomyces Hanseniiinhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaGoffeauzyma Gilvescensinhibitory and promoting effects on the growth of different microorganismsisolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
ProkaryotaLactobacillus PlantarumNANAZhang et al. 2022
ProkaryotaLactiplantibacillus PlantarumChen et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBTD/GC-MSno
EukaryotaDebaryomyces Hanseniiartificial nectar mediaGC-MSno
EukaryotaGoffeauzyma Gilvescensartificial nectar mediaGC-MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
ProkaryotaLactobacillus Plantarumchickpea milkUHPLC/MSno
ProkaryotaLactiplantibacillus Plantarumfermentation of ginkgo kernel juiceGC-IMSno