Results for:
Species: Lentinellus cochleatus

Methyl (Z)-3-(4-methoxyphenyl)prop-2-enoate

Compound Details

Synonymous names
19310-29-3
cis(Z)-p-Methoxymethylcinnamate
methyl (Z)-3-(4-methoxyphenyl)prop-2-enoate
Methyl p-methoxycinnamate, cis
3-(4-methoxy-phenyl)-acrylic acid methyl ester
Methyl (2Z)-3-(4-methoxyphenyl)-2-propenoate
cis-Methyl p-methoxycinnamate
methyl (z)-p-methoxycinnamate
(Z)-Methyl-p-methoxycinnamate
methyl (z)-4-methoxycinnamate
VEZIKIAGFYZTCI-YVMONPNESA-N
2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester, cis
2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester, (Z)-
Microorganism:

No

IUPAC namemethyl (Z)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOC1=CC=C(C=C1)C=CC(=O)OC
InchiInChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5-
FormulaC11H12O3
PubChem ID1712659
Molweight192.21
LogP2.6
Atoms14
Bonds4
H-bond Acceptor3
H-bond Donor0
Chemical Classificationbenzenoids aromatic compounds esters ethers
Supernatural-IDSN0388505-02

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaLentinellus CochleatusNARapior et al. 2002
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaLentinellus Cochleatushydro-destillation, solvent extraction, GC-MSno


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
Lactobacillus 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
Lactobacillus PlantarumHabanero pepperGC–IMSno


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

Mass-Spectra

Compound Details

Synonymous names
Methyl 4-methoxycinnamate
832-01-9
methyl 3-(4-methoxyphenyl)acrylate
3901-07-3
(E)-Methyl 3-(4-methoxyphenyl)acrylate
Methyl (E)-p-methoxycinnamate
methyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
Cinnamate, methyl p-methoxy-
Cinnamic acid, p-methoxy-, methyl ester
2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester
4-methoxycinnamic acid methyl ester
2-propenoic acid, 3-(4-methoxyphenyl)-, methyl ester, (2E)-
methyl trans-p-methoxycinnamate
1F58T0S3Q7
3-(4-Methoxyphenyl)-2-propenoic acid methyl ester
NSC-26461
Methyl 3-(4-methoxyphenyl)-2-propenoate
methyl p-methoxy cinnamate
Methyl(E)-p-methoxycinnamate
(E)-Methyl 4-methoxycinnamate
METHYL-4-METHOXYCINNAMATE
Methyl3-(4-methoxyphenyl)acrylate
p-methoxy methyl cinnamate
methyl(E)-4-methoxycinnamate
(E)-Methyl4-methoxycinnamate
UNII-1F58T0S3Q7
methyl trans-4-methoxycinnamate
SCHEMBL1237222
SCHEMBL1397478
trans-methyl 4-methoxycinnamate
CHEBI:86901
trans(E)-p-Methoxymethylcinnamate
NSC26461
EINECS 223-455-9
4-Methoxycinnamic acid, methyl ester
MFCD00188501
Methyl 3-(4-methoxyphenyl)propenoate
AKOS000295948
AKOS023091012
MS-3707
AC-12823
methyl (2E)-3-(4-methoxyphenyl)acrylate
AI3-36063
CS-0099561
NS00042500
EN300-211931
EN300-364716
methyl (E)-3-(4-methoxyphenyl)-2-propenoate
W11634
AE-641/05563005
W-109935
Q27159285
2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester, (E)-
InChI=1/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5
Microorganism:

No

IUPAC namemethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOC1=CC=C(C=C1)C=CC(=O)OC
InchiInChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5+
FormulaC11H12O3
PubChem ID641297
Molweight192.21
LogP2.6
Atoms14
Bonds4
H-bond Acceptor3
H-bond Donor0
Chemical Classificationaromatic compounds esters ethers benzenoids
CHEBI-ID86901
Supernatural-IDSN0388505-01

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaLentinellus CochleatusNARapior et al. 2002
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaLentinellus Cochleatushydro-destillation, solvent extraction, GC-MSno


Methyl 4-methoxybenzoate

Mass-Spectra

Compound Details

Synonymous names
METHYL 4-METHOXYBENZOATE
121-98-2
Methyl p-anisate
Methyl anisate
Methyl p-methoxybenzoate
Benzoic acid, 4-methoxy-, methyl ester
Methyl 4-Anisate
4-Methoxybenzoic acid methyl ester
p-Anisic acid, methyl ester
p-Methoxybenzoic acid methyl ester
p-Anisic acid methyl ester
FEMA No. 2679
Benzoic acid, p-methoxy-, methyl ester
NSC 7324
NSC7324
4-methoxy methylbenzoate
NSC-7324
CHEMBL1762668
DTXSID7047645
CHEBI:86903
2MFL7873W9
4-methoxy-benzoic acid methyl ester
Methyl ester of p-Methoxybenzoic acid
MFCD00008437
methyl4-methoxybenzoate
methyl P-methoxy benzoate
EINECS 204-513-2
anisate
BRN 2208571
UNII-2MFL7873W9
AI3-00229
Methyl-p-anisate
FEMA 2679
Methyl p-anisate, 99%
bmse010016
WLN: 1OVR DO1
METHYL ANISATE [FHFI]
SCHEMBL231243
F1335-0002
METHYL-4-METHOXYBENZOATE
DTXCID5027645
Methyl p-anisate, >=99%, FG
NSC7324NSC 7324
Tox21_302682
AC7521
BDBM50340087
STK041805
AKOS000501135
AC-7084
CS-W016058
HY-W015342
MCULE-7764530900
NCGC00256751-01
CAS-121-98-2
DS-13900
SY003911
Methyl p-anisate, >=99% (capillary GC)
DB-012814
A1125
AM20050128
NS00012845
EN300-107567
AQ-917/40232598
METHYL SALICYLATE IMPURITY D [EP IMPURITY]
Q6823933
W-108443
Z19787338
InChI=1/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H
Microorganism:

Yes

IUPAC namemethyl 4-methoxybenzoate
SMILESCOC1=CC=C(C=C1)C(=O)OC
InchiInChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
FormulaC9H10O3
PubChem ID8499
Molweight166.17
LogP2.3
Atoms12
Bonds3
H-bond Acceptor3
H-bond Donor0
Chemical Classificationbenzenoids esters ethers aromatic compounds
CHEBI-ID86903
Supernatural-IDSN0062780

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium BovisNANASyhre and Chambers 2008
ProkaryotaMycobacterium TuberculosisNANASyhre and Chambers 2008
EukaryotaLentinellus CochleatusNARapior et al. 2002
ProkaryotaChondromyces Crocatusn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Schulz and Dickschat 2007
ProkaryotaChondromyces Crocatusn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Dickschat et al. 2005_6
ProkaryotaMycobacterium Tuberculosisn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Syhre et al. 2008
ProkaryotaChondromyces Crocatusn/aNADickschat et al. 2005_6
EukaryotaPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al. 2000
EukaryotaTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al. 2000
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Bovissheep blood agarSPME/GC-MSno
ProkaryotaMycobacterium TuberculosisLG + glycerolSPME/GC-MSno
ProkaryotaMycobacterium BovisBacT/Alert® MPSPME/GC-MSno
ProkaryotaMycobacterium BovisLG + glycerolSPME/GC-MSno
ProkaryotaMycobacterium Tuberculosissheep blood agarSPME/GC-MSno
ProkaryotaMycobacterium TuberculosisBacT/Alert® MPSPME/GC-MSno
EukaryotaLentinellus Cochleatushydro-destillation, solvent extraction, GC-MSno
ProkaryotaChondromyces CrocatusLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MSno
ProkaryotaMycobacterium TuberculosisLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MSno
EukaryotaPiptoporus BetulinusnaGC/MSno
EukaryotaTrametes SuaveolensnaGC/MSno