Results for:
Species: Stereum subpileatum

(E)-3-phenylprop-2-enoic Acid

Mass-Spectra

Compound Details

Synonymous names
PHENYLETHYLENECARBOXYLIC ACID
Benzenepropenoic acid
Benzylideneacetic acid
Acidum cinnamylicum
Benzeneacrylic acid
Zimtsaeure
Phenylacrylic acid
WBYWAXJHAXSJNI-VOTSOKGWSA-N
Cinnamylic acid
Isocinnamic acid
PhCH=CHCO2H
trans-beta-Carboxystyrene
trans-Cinnamate
trans-Zimtsaeure
beta-Phenylacrylic acid
CINNAMIC ACID
trans-b-Carboxystyrene
Cinnamic Acid Natural
trans-3-Phenylpropensaeure
trans cinnamic acid
TRANS-CINNAMIC ACID
Zimtsaeure | trans-Cinnamate
3-Phenylpropenoic acid
trans-3-Phenylacrylate
3-Phenylacrylic acid
E-Cinnamic Acid
t-Cinnamic acid
trans-3-Phenylacrylic acid
trans-Cinnamic acid, analytical standard
AC1L9GI1
AC1Q5T9E
AC1Q71HQ
E-3-phenylpropenoic acid
Zimtsaeure [German]
Kyselina skoricove [Czech]
SCHEMBL1332
trans-.beta.-Carboxystyrene
.beta.-Phenylacrylic acid
GTPL3203
M182
(E)-cinnamate
CHEMBL27246
Cinnamic acid (natural)
NSC9189
PubChem13612
BDBM16430
HMDB00930
N1877
tert-.beta.-Phenylacrylic acid
AS07055
BIDD:ER0586
LS00072
NE10311
NSC44010
RP17351
STR00363
WLN: QV1U1R
(E)-Cinnamic acid
3-Phenyl-2-propenoic acide
3-phenyl-2E-propenoic acid
bmse000124
C00423
C10438
CCRIS 3190
Cinnamic acid, E-
trans-3-Phenyl-2-propenoate
trans-Cinnamic acid, >=99%
U14A832J8D
(E)-3-Phenylacrylate
3-Phenyl-2-propenoic acid
3-phenylprop-2-enoic acid
AK114507
BT000153
DTXSID5022489
LS-2626
NSC 9189
NSC-9189
NSC623441
OR034426
OR195269
SBB028745
ST097455
STK286093
trans-Cinnamic acid, 97%
trans-Cinnamic acid, 99%
A833631
CHEBI:27386
CHEBI:35697
Cinnamic acid, United States Pharmacopeia (USP) Reference Standard
DSSTox_CID_2489
trans-3-Phenyl-2-propenoic acid
UNII-U14A832J8D
(E)-3-Phenylacrylic acid
4CN-0914
AB1002037
AJ-68078
AK-47839
AN-21994
AN-23168
BP-20203
DSSTox_GSID_22489
KB-61966
KB-76099
LS-54015
NSC 44010
NSC-44010
SC-24646
DSSTox_RID_76603
MFCD00004369
ZINC16051516
(2E)-3-phenylacrylic acid
AI3-00891
AI3-23709
CCG-214473
DB-003797
NSC-623441
RTR-005227
RTR-021011
ST24024695
TR-005227
TR-021011
AKOS000118871
I01-8768
Q-100150
S01-0256
W-105037
(E)-3-phenyl-acrylic acid
BRN 0507757
BRN 1905952
FEMA No. 2288
FT-0623829
FT-0655071
trans-Cinnamic acid, >=99%, FG
Cinnamic acid, (E)-
Tox21_112279
Tox21_302137
(E)-3-phenylprop-2-enoate
140-10-3
621-82-9
F2191-0134
(2E)-2-Phenyl-2-propenoate
(2E)-3-Phenyl-2-propenoate
(E)-3-Phenyl-2-propenoic acid
(E)-3-phenylprop-2-enoic acid
9045-22-1
NCGC00165979-01
NCGC00255114-01
AB00374254-03
CAS-140-10-3
EINECS 205-398-1
EINECS 210-708-3
(2E)-2-Phenyl-2-propenoic acid
(2E)-3-Phenyl-2-propenoic acid
(2E)-3-phenylprop-2-enoic acid
63938-16-9
SR-05000002380
trans-Cinnamic acid, 99% 100g
MolPort-000-881-745
trans-Cinnamic acid, natural, >=99%, FCC, FG
SR-05000002380-1
trans-Cinnamic acid, purum, >=99.0% (T)
2-Propenoic acid, 3-phenyl-, (E)-
4-09-00-02002 (Beilstein Handbook Reference)
2-Propenoic acid, 3-phenyl-, (2E)-
1BE36587-A165-4142-9340-18FFE3E03426
InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6
IUPAC name(E)-3-phenylprop-2-enoic acid
SMILESC1=CC=C(C=C1)C=CC(=O)O
InchiInChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
FormulaC9H8O2
PubChem ID444539
Molweight148.161
LogP2.14
Atoms19
Bonds19
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationBenzenoids Acids Alkenes carboxylic acids

mVOC Specific Details

MS-Links
MS-MS Spectrum 179668
MS-MS Spectrum 201728
MS-MS Spectrum 4932 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative
MS-MS Spectrum 4925 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative
MS-MS Spectrum 4926 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative
MS-MS Spectrum 182001
MS-MS Spectrum 1325 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 179667
MS-MS Spectrum 182003
MS-MS Spectrum 4924 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative
MS-MS Spectrum 1324 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 4927 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Negative
MS-MS Spectrum 4928 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Negative
MS-MS Spectrum 201727
MS-MS Spectrum 201729
MS-MS Spectrum 4931 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive
MS-MS Spectrum 179669
MS-MS Spectrum 182002
MS-MS Spectrum 1326 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAgaricus Bisporus (brown)nanortheast PortugalReis et al., 2012
FungiAgaricus Bisporus (white)nanortheast PortugalReis et al., 2012
FungiAgaricus BlazeinaKoreaKim et al., 2008
FungiBjerkandera Adustan/aSchulz and Dickschat, 2007
FungiGanoderma Lucidumnanortheast PortugalHeleno et al., 2012
FungiLentinula Edodesnanortheast PortugalReis et al., 2012
FungiPleurotus Eryngiinanortheast PortugalReis et al., 2012
FungiPleurotus Ostreatusnanortheast PortugalReis et al., 2012
Fungi Stereum SubpileatumBirkinshaw et al 1957
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAgaricus Bisporus (brown)MMN-mediumHPLC/PADYes
FungiAgaricus Bisporus (white)MMN-mediumHPLC/PADYes
FungiAgaricus BlazeinaHPLCYes
FungiBjerkandera Adustan/an/a
FungiGanoderma Lucidumsolid MMN culture medium, liquid MMN culture medium, PDA culture mediumHPLC-DAD-MSYes
FungiLentinula EdodesMMN-mediumHPLC/PADYes
FungiPleurotus EryngiiMMN-mediumHPLC/PADYes
FungiPleurotus OstreatusMMN-mediumHPLC/PADYes
Fungi Stereum Subpileatumno


(E)-3-phenylprop-2-enal

Mass-Spectra

Compound Details

Synonymous names
Benzylideneacetaldehyde
transcinnamaldehyde
Cinnamylaldehyde
cinnamaldehyde
Cinnemaldehyde
Phenylacrolein
trans-Cinnamylaldehyde
Zimtaldehyde
beta-phenylacrolein
trans cinnamaldehyde
trans-Cinnamaldehyde
Aldehyd skoricovy
beta-Phenylcrolein
Cinnamal
Cinnamic aldehyde
Cinnamyl aldehyde
KJPRLNWUNMBNBZ-QPJJXVBHSA-N
3-Phenylacrylaldehyde
Cassia aldehyde
NATURAL CINNAMIC ALDEHYDE
Cinnamaldehyde, Natural
CNMA
trans-3-Phenylacrylaldehyde
trans-Cinnamaldehyde, analytical standard
trans-Cinnamic aldehyde
3-Phenylacrolein
3-Phenylpropenal
AC1LCUDE
3-Fenylpropenal
Nat. Cinnamaldehyde
Abion CA
AC1Q6BJW
AC1Q6PPL
trans-3-Phenylacrolein
trans-Cinnamaldehyde; trans-3-Phenylacrylaldehyde
C9H8O
CINNAMALDEHYDE (TRANS)
Cinnamaldehyde, trans-
Cinnamaldehyde [NF]
(E)-Cinnamaldehyde
Cinnamic aldehyde (natural)
Hefty Dog and Cat Repellent
SCHEMBL3441
SR60A3XG0F
trans-Cinnamaldehyde, >=99%
(E)-phenylvinyl aldehyde
3-Phenyl-2-propenaldehyde
Aldehyd skoricovy [Czech]
GTPL2423
M181
trans-Cinnamaldehyde, 99%
UNII-SR60A3XG0F
(E)-Cinnamic aldehyde
HMDB03441
HSDB 209
N1482
3-Fenylpropenal [Czech]
3-Phenyl-2-propenal
3-phenylprop-2-enal
CHEMBL293492
Cinnamaldehyde (trans), neat
LS-378
LS-850
NSC16935
NSC40346
RL00215
WLN: VH1U1R
(2E)-3-phenylacrylaldehyde
bmse010257
C00903
CCRIS 3189
CCRIS 6222
HMS2268O08
(E)-3-Phenylpropenal
Acrolein, 3-phenyl-
AK158901
BBL010378
BT000131
DTXSID6024834
FEMA Number 2286
LP074438
OR025072
SBB028652
STK397371
trans-3-Phenyl-2-propenal
(E)-3-phenyl-acrylaldehyde
A801001
CHEBI:16731
DSSTox_CID_4834
NCI-C56111
R501736
ZINC1532777
AJ-26812
AK-77787
AN-24684
Caswell No. 221A
Cinnamaldehyde, (E)-
cinnamic aldehyde, (E)-isomer
CJ-24256
DSSTox_GSID_24834
KB-76097
KB-81236
NSC 16935
NSC-16935
NSC-40346
SC-19143
ST2407775
BB_NC-2240
BDBM50203065
DSSTox_RID_77548
MFCD00007000
ZINC01532777
(E)-3-Phenyl-propenal
ACN-035400
AI3-00473
AI3-33275
AM20060482
Cinnamaldehyde, natural, >=95%, FG
DB-003796
RT-001454
RTR-001003
ST24024694
ST50213393
TR-001003
AKOS000119171
EPA Pesticide Chemical Code 040506
Epitope ID:150921
I14-7336
W-205597
2-Propenal, 3-phenyl-
BRN 0605737
BRN 1071571
FEMA No. 2286
FT-0631572
FT-0696806
FT-0697676
MLS002454394
SMR000112334
Cinnamaldehyde, 95% 100g
3-Phenyl-2-propen-1-al
Cinnamaldehyde, Vetec(TM) reagent grade, 93%
Tox21_111144
Tox21_201804
Tox21_303271
trans-Cinnamaldehyde, >=98%, FCC, FG
104-55-2
I14-109742
(E)-3-Phenyl-2-propenal
(E)-3-phenylprop-2-enal
NCGC00091512-01
NCGC00091512-02
NCGC00091512-04
NCGC00091512-05
NCGC00091512-06
NCGC00091512-07
NCGC00257017-01
NCGC00259353-01
(2E)-3-Phenyl-2-propenal
(2E)-3-phenylprop-2-enal
(3E)-3-phenylprop-2-enal
EINECS 203-213-9
14371-10-9
57194-69-1
(E)-3-phenyl-2-propenal(E)-cinnamaldehyde
CAS-14371-10-9
MolPort-000-871-213
2-propenal,3-phenyl-,(E)-
58840-EP2305682A1
58840-EP2308879A1
TRANS-CINNAMALDEHYDE (SEE ALSO CINNAMALDEHYDE (104-55-2))
2-Propenal, 3-phenyl-, (E)-
2-07-00-00273 (Beilstein Handbook Reference)
2-propenal, 3-phenyl-, (2E)-
4-07-00-00984 (Beilstein Handbook Reference)
CINNAMALDEHYDE (SEE ALSO TRANS-CINNAMALDEHYDE (14371-10-9))
B99DD6C7-1C6D-4FE3-A172-54BFDB987683
2-Propenal, 3-phenyl-, (E)- (9CI)
InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4
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
Molweight132.162
LogP1.98
Atoms18
Bonds18
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes carboxylic acids benzenoids

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Stereum SubpileatumBirkinshaw et al 1958
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Stereum Subpileatumno


5-methoxy-1-benzofuran

Compound Details

Synonymous names
JJXPTUWJVQUHKN-UHFFFAOYSA-N
5-Methoxybenzofuran
5-methoxy-benzofura
5-methoxy-benzofuran
BEN218
5-Methoxybenzo[b]furan
BEN120
AC1L1A33
5-methoxy-1-benzofuran
CTK0I1438
SCHEMBL826624
BENZOFURAN, 5-METHOXY-
SBB017643
EN001689
HE017624
NSC149953
R 7236
ZINC1744453
C-6236
CJ-29591
ANW-55745
SC-46121
DTXSID40158418
AN-16381
AK-58171
AJ-31400
TS-01940
KB-43584
LS-35202
MFCD00079770
TC-070562
DB-049841
NSC-149953
NSC 149953
J-006453
1-Benzofuran-5-yl methyl ether #
AKOS006342986
FT-0636885
BRN 0116721
I14-15083
13391-28-1
MolPort-000-156-744
5-17-04-00203 (Beilstein Handbook Reference)
IUPAC name5-methoxy-1-benzofuran
SMILESCOC1=CC2=C(C=C1)OC=C2
InchiInChI=1S/C9H8O2/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-6H,1H3
FormulaC9H8O2
PubChem ID25943
Molweight148.161
LogP1.97
Atoms19
Bonds20
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids furans ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Stereum SubpileatumBirkinshaw et al 1959
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Stereum Subpileatumno