Results for:
Species: Stereum subpileatum

(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


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

Mass-Spectra

Compound Details

Synonymous names
CINNAMIC ACID
TRANS-CINNAMIC ACID
140-10-3
621-82-9
3-Phenylacrylic acid
(E)-Cinnamic acid
trans-3-Phenylacrylic acid
Phenylacrylic acid
(E)-3-phenylprop-2-enoic acid
Zimtsaeure
E-Cinnamic Acid
3-Phenylpropenoic acid
trans-Cinnamate
2-Propenoic acid, 3-phenyl-, (2E)-
(2E)-3-phenylprop-2-enoic acid
3-phenylprop-2-enoic acid
Cinnamic acid, (E)-
Cinnamylic acid
trans-beta-Carboxystyrene
(2E)-3-Phenyl-2-propenoic acid
beta-Phenylacrylic acid
(E)-cinnamate
Benzeneacrylic acid
trans-3-Phenyl-2-propenoic acid
3-Phenyl-2-propenoic acid
Benzenepropenoic acid
FEMA No. 2288
CCRIS 3190
2-Propenoic acid, 3-phenyl-, (E)-
(E)-3-Phenyl-2-propenoic acid
t-Cinnamic acid
EINECS 205-398-1
MFCD00004369
NSC 44010
Benzylideneacetic acid
UNII-U14A832J8D
BRN 1905952
CINNAMIC ACIDUM
AI3-23709
Cinnamic acid, trans-
Kyselina skoricove
PhCH=CHCO2H
Acidum cinnamylicum
U14A832J8D
(2E)-2-Phenyl-2-propenoic acid
PHENYLETHYLENECARBOXYLIC ACID
NSC-9189
NSC-44010
Cinnamic acid(only trans)
NSC-623441
Heparin, lithium salt
(2E)-3-phenylacrylic acid
CHEMBL27246
Cinnamic acid (natural)
DTXSID5022489
CHEBI:27386
CHEBI:35697
NSC 9189
cinnamate
4-09-00-02002 (Beilstein Handbook Reference)
NCGC00165979-01
352431-48-2
EINECS 210-708-3
BRN 0507757
AI3-00891
CINNAMIC ACID (MART.)
CINNAMIC ACID [MART.]
DTXCID002489
CINNAMIC ACID (USP-RS)
CINNAMIC ACID [USP-RS]
(E)-3-phenylprop-2-enoate
CAS-140-10-3
.beta.-Phenylacrylic acid
343338-31-8
(E)-3-Phenylacrylic acid
DTXSID40110056
trans-Zimtsaeure
NSC 623441
trans cinnamic acid
cinnamic acid, (trans)-(E)-isomer
5-Thiazolamine?HCl
b-Phenylacrylic acid
Cinnamic acid, E-
Cinnamic Acid Natural
Cinnamic Acid1511
trans-b-Carboxystyrene
Cinnamicacid(onlytrans)
trans-3-Phenylacrylate
(E)-3-Phenylacrylate
E-3-phenylpropenoic acid
Trans-Cinnamic Acid,(S)
bmse000124
CINNAMIC ACID [MI]
SCHEMBL1332
trans-.beta.-Carboxystyrene
trans-Cinnamic acid, 97%
trans-Cinnamic acid, 99%
WLN: QV1U1R
(E)-3-phenyl-acrylic acid
3-phenyl-2E-propenoic acid
CINNAMIC ACID [FCC]
Zimtsaeure | trans-Cinnamate
CINNAMIC ACID [FHFI]
CINNAMIC ACID [INCI]
trans-3-Phenyl-2-propenoate
BIDD:ER0586
tert-.beta.-Phenylacrylic acid
trans-Cinnamic acid, >=99%
(2E)-2-Phenyl-2-propenoate
(2E)-3-Phenyl-2-propenoate
GTPL3203
CINNAMIC ACID [WHO-DD]
DTXCID9065316
BDBM16430
HY-N0610A
NSC9189
NSC44010
STR00363
trans-Cinnamic acid, >=99%, FG
Tox21_112279
Tox21_302137
BBL036895
NSC623441
s3677
STK286093
AKOS000118871
CCG-214473
CS-W020005
trans-Cinnamic acid, analytical standard
NCGC00165979-04
NCGC00165979-06
NCGC00255114-01
1ST40140
AC-34658
AS-75479
BP-20203
3-Phenylacrylic acid; -Phenylacrylic acid
DB-003797
DB-215130
C3412
NS00001286
EN300-19599
trans-Cinnamic acid, purum, >=99.0% (T)
C00423
D70605
EN300-306004
AB00374254-03
trans-cinnamic acid (trans-3-phenylacrylic acid)
trans-Cinnamic Acid [Matrix for MALDI-TOF/MS]
A833631
Q164785
SR-05000002380
trans-Cinnamic acid, natural, >=99%, FCC, FG
Q-100150
SR-05000002380-1
W-105037
F2191-0134
trans-Cinnamic Acid Zone Refined (number of passes:40)
trans-Cinnamic acid; Phenylacrylic acid;Cinnamylic acid
Z104474406
1BE36587-A165-4142-9340-18FFE3E03426
CINNAMIC ACID (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC]
Cinnamic acid, United States Pharmacopeia (USP) Reference Standard
TRANS-CINNAMIC ACID (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC]
InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6
Microorganism:

Yes

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
Molweight148.16
LogP2.1
Atoms11
Bonds2
H-bond Acceptor2
H-bond Donor1
Chemical Classificationacids benzenoids carboxylic acids aromatic compounds organic acids
CHEBI-ID27386
Supernatural-IDSN0406189-02

mVOC Specific Details

Boiling Point
DegreeReference
298 median
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
Massbank-Links
Massbank Spectrum MSBNK-Antwerp_Univ-METOX_N109828_B8BB
Massbank Spectrum MSBNK-BGC_Munich-RP018301
Massbank Spectrum MSBNK-BGC_Munich-RP018302
Massbank Spectrum MSBNK-BGC_Munich-RP018303
Massbank Spectrum MSBNK-BGC_Munich-RP018311
Massbank Spectrum MSBNK-BGC_Munich-RP018312
Massbank Spectrum MSBNK-Kazusa-KZ000090
Massbank Spectrum MSBNK-Keio_Univ-KO000401
Massbank Spectrum MSBNK-Keio_Univ-KO000402
Massbank Spectrum MSBNK-Keio_Univ-KO000403
Massbank Spectrum MSBNK-Keio_Univ-KO000404
Massbank Spectrum MSBNK-Keio_Univ-KO000405
Massbank Spectrum MSBNK-RIKEN-PR010191
Massbank Spectrum MSBNK-RIKEN-PR100060
Massbank Spectrum MSBNK-RIKEN-PR100513
Massbank Spectrum MSBNK-RIKEN-PR303321
Massbank Spectrum MSBNK-RIKEN-PR303323
Massbank Spectrum MSBNK-RIKEN-PR303325
Massbank Spectrum MSBNK-RIKEN-PR303328
Massbank Spectrum MSBNK-RIKEN-PR303330
Massbank Spectrum MSBNK-RIKEN-PR303332
Massbank Spectrum MSBNK-RIKEN-PR303335
Massbank Spectrum MSBNK-RIKEN-PR303337
Massbank Spectrum MSBNK-RIKEN-PR303339

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaBjerkandera Adustan/aNASchulz and Dickschat 2007
ProkaryotaStereum SubpileatumNABirkinshaw et al. 1957
EukaryotaGanoderma Lucidumnanortheast PortugalHeleno et al. 2012
EukaryotaAgaricus Bisporusnanortheast PortugalReis et al. 2012
EukaryotaPleurotus Ostreatusnanortheast PortugalReis et al. 2012
EukaryotaPleurotus Eryngiinanortheast PortugalReis et al. 2012
EukaryotaLentinula Edodesnanortheast PortugalReis et al. 2012
EukaryotaAgaricus BlazeinaKoreaKim et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaBjerkandera Adustan/an/ano
ProkaryotaStereum Subpileatumno
EukaryotaGanoderma Lucidumsolid MMN culture medium, liquid MMN culture medium, PDA culture mediumHPLC-DAD-MSyes
EukaryotaAgaricus BisporusMMN-mediumHPLC/PADyes
EukaryotaPleurotus OstreatusMMN-mediumHPLC/PADyes
EukaryotaPleurotus EryngiiMMN-mediumHPLC/PADyes
EukaryotaLentinula EdodesMMN-mediumHPLC/PADyes
EukaryotaAgaricus BlazeinaHPLCyes