Results for:
PubChem ID: 444539

(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
Microorganism:	Yes
IUPAC name	(E)-3-phenylprop-2-enoic acid
SMILES	C1=CC=C(C=C1)C=CC(=O)O
Inchi	InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
Formula	C9H8O2
PubChem ID	444539
Molweight	148.161
LogP	2.14
Atoms	19
Bonds	19
H-bond Acceptor	2
H-bond Donor	1
Chemical Classification	Benzenoids 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

1D NMR Spectrum 5018 1D NMR Spectrum 1609 - Varian 500 MHz 1H NMR 1D NMR Spectrum 2933 - Varian 25.16 MHz 13C NMR 1D NMR Spectrum 2238 - JEOL 400 MHz 1H NMR

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Fungi Agaricus Bisporus (brown) na northeast Portugal Reis et al., 2012 Fungi Agaricus Bisporus (white) na northeast Portugal Reis et al., 2012 Fungi Agaricus Blazei na Korea Kim et al., 2008 Fungi Bjerkandera Adusta n/a Schulz and Dickschat, 2007 Fungi Ganoderma Lucidum na northeast Portugal Heleno et al., 2012 Fungi Lentinula Edodes na northeast Portugal Reis et al., 2012 Fungi Pleurotus Eryngii na northeast Portugal Reis et al., 2012 Fungi Pleurotus Ostreatus na northeast Portugal Reis et al., 2012 Fungi Stereum Subpileatum Birkinshaw et al 1957

Method

Kingdom Species Growth Medium Applied Method Verification Fungi Agaricus Bisporus (brown) MMN-medium HPLC/PAD Yes Fungi Agaricus Bisporus (white) MMN-medium HPLC/PAD Yes Fungi Agaricus Blazei na HPLC Yes Fungi Bjerkandera Adusta n/a n/a Fungi Ganoderma Lucidum solid MMN culture medium, liquid MMN culture medium, PDA culture medium HPLC-DAD-MS Yes Fungi Lentinula Edodes MMN-medium HPLC/PAD Yes Fungi Pleurotus Eryngii MMN-medium HPLC/PAD Yes Fungi Pleurotus Ostreatus MMN-medium HPLC/PAD Yes Fungi Stereum Subpileatum no