Results for:
PubChem ID: 998

2-phenylacetaldehyde

Mass-Spectra

Compound Details

Synonymous names	phenylacetaldehyde 2-phenylacetaldehyde 122-78-1 Benzeneacetaldehyde Hyacinthin Phenylethanal alpha-Tolualdehyde 2-Phenylethanal Phenylacetic aldehyde Oxophenylethane alpha-Toluic aldehyde Acetaldehyde, phenyl- Benzylcarboxaldehyde 1-Oxo-2-phenylethane Phenacetaldehyde phenyl acetaldehyde phenyl-Acetaldehyde .alpha.-Tolualdehyde Benzacetaldehyde Phenylacetaldehyde (natural) alpha-Phenylacetaldehyde Benzenacetaldehyde .alpha.-Toluic aldehyde FEMA No. 2974 UNII-U8J5PLW9MR NSC 406309 U8J5PLW9MR EINECS 204-574-5 alpha-Tolyaldehyde Acetaldehyde, phenyl- (8CI) DTXSID3021483 CHEBI:16424 AI3-02175 NSC-406309 a-Tolyaldehyde DTXCID501483 FEMA NO. 2874 CAS-122-78-1 benzeneethanal a-Tolualdehyde 2-phenylethanone a-toluic aldehyde Phenylacetoaldehyde benzene acetaldehyde a-Phenylacetaldehyde 2-phenyl-acetaldehyde bmse000427 NCIOpen2_003602 Phenylacetaldehyde, >=90% SCHEMBL18972 PHENYLACETALDEHYDE [MI] PHENYLACETALDEHYDE [FCC] CHEMBL1233464 PHENYLACETALDEHYDE [FHFI] STR00412 Tox21_201582 Tox21_302945 MFCD00006993 NSC406309 s9357 AKOS000119316 CCG-266073 CS-W011205 DB02178 HY-W010489 MCULE-3725701027 Phenylacetaldehyde, >=95%, FCC, FG NCGC00249076-01 NCGC00256522-01 NCGC00259131-01 DB-041686 NS00013128 P0119 EN300-18996 C00601 D78329 10.14272/DTUQWGWMVIHBKE-UHFFFAOYSA-N.1 A804962 Q424998 doi:10.14272/DTUQWGWMVIHBKE-UHFFFAOYSA-N.1 Q-201558 F2190-0653 Z104472146 D60A2590-0A65-4BA8-A05B-D8423408535C InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H
Microorganism:	Yes
IUPAC name	2-phenylacetaldehyde
SMILES	C1=CC=C(C=C1)CC=O
Inchi	InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
Formula	C8H8O
PubChem ID	998
Molweight	120.15
LogP	1.8
Atoms	9
Bonds	2
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	benzenoids aldehydes aromatic compounds
CHEBI-ID	16424
Supernatural-ID	SN0075259

mVOC Specific Details

Boiling Point	Degree Reference 195 °C PhysProp
MS-Links	MS-MS Spectrum 108927 MS-MS Spectrum 176258 MS-MS Spectrum 108928 MS-MS Spectrum 108929 MS-MS Spectrum 176257 MS-MS Spectrum 176256
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009418

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Escherichia Coli NA NA Kunze et al. 2013 Prokaryota Pseudomonas Aeruginosa NA NA Kunze et al. 2013 Eukaryota Candida Parapsilosis NA NA Fitzgerald et al. 2022 Eukaryota Aspergillus Niger NA NA Costa et al. 2016 Eukaryota Candida Albicans NA NA Costa et al. 2016 Eukaryota Penicillium Chrysogenum NA NA Costa et al. 2016 Prokaryota Staphylococcus Aureus NA Karami et al. 2017 Prokaryota Acinetobacter Radioresistens NA Timm et al. 2018 Prokaryota Staphylococcus Epidermidis NA Timm et al. 2018 Prokaryota Pseudomonas Sp. antifungal activity against Thielaviopsis ethacetica mycelial growth Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil Freitas et al. 2022 Eukaryota Candida Albicans ATCC MYA-2876, American Type Culture Collection Costa et al. 2020 Eukaryota Candida Glabrata ATCC 90030, American Type Culture Collection Costa et al. 2020 Eukaryota Candida Tropicalis ATCC 750, American Type Culture Collection Costa et al. 2020 Eukaryota Tuber Magnatum collected from natural truffle orchards in Istria (Croatia) during one truffle season (October 2018–January 2019) Niimi et al. 2021 Eukaryota Tuber Magnatum collected from natural truffle orchards in Baranya (Hungary) during one truffle season (October 2018–January 2019) Niimi et al. 2021 Eukaryota Tuber Magnatum collected from natural truffle orchards in Somogy (Hungary) during one truffle season (October 2018–January 2019) Niimi et al. 2021 Eukaryota Tuber Magnatum collected from natural truffle orchards in Abruzzo (Italy) during one truffle season (October 2018–January 2019) Niimi et al. 2021 Eukaryota Tuber Magnatum collected from natural truffle orchards in Kalubara (Serbia) during one truffle season (October 2018–January 2019) Niimi et al. 2021 Eukaryota Tuber Magnatum collected from natural truffle orchards in Srem (Serbia) during one truffle season (October 2018–January 2019) Niimi et al. 2021 Prokaryota Staphylococcus Epidermidis American Type Culture Collection Jenkins and Bean 2020 Prokaryota Bacillus Cereus promote fungal hypocrellin A production in Shiraia sp. S9 isolate and deposite at the China General Microbiological Culture Collection Center (CGMCC) Xu et al. 2022 Eukaryota Botrytis Sp. NA Kikuchi et al. 1983 Eukaryota Fusarium Sp. NA Takeuchi et al. 2012 Eukaryota Aspergillus Sp. NA Seifert and King 1982 Eukaryota Ganoderma Applanatum NA Ziegenbein et al. 2010 Prokaryota Bacillus Simplex Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus. NA Gu et al. 2007 Prokaryota Bacillus Subtilis Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus. NA Gu et al. 2007 Prokaryota Bacillus Weihenstephanensis Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus. NA Gu et al. 2007 Prokaryota Microbacterium Oxydans Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus. NA Gu et al. 2007 Prokaryota Stenotrophomonas Maltophilia Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus. NA Gu et al. 2007 Prokaryota Streptomyces Lateritius Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus. NA Gu et al. 2007 Prokaryota Serratia Marcescens Reduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus. NA Gu et al. 2007 Prokaryota Staphylococcus Xylosus n/a NA Schulz and Dickschat 2007 Prokaryota Lactococcus Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Arthrobacter Globiformis n/a NA Schulz and Dickschat 2007 Prokaryota Bacillus Sp. Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia. NA Zou et al. 2007 Prokaryota Stenotrophomonas Maltophilia Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia. NA Zou et al. 2007 Prokaryota Alcaligenes Faecalis Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia. NA Zou et al. 2007 Prokaryota Arthrobacter Nitroguajacolicus Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia. NA Zou et al. 2007 Prokaryota Lysobacter Gummosus Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia. NA Zou et al. 2007 Prokaryota Sporosarcina Ginsengisoli Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia. NA Zou et al. 2007 Eukaryota Tuber Aestivum n/a Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain). Diaz et al. 2003 Eukaryota Tuber Melanosporum n/a Agricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain). Diaz et al. 2003 Prokaryota Burkholderia Graminis n/a NA Blom et al. 2011 Eukaryota Ganoderma Lucidum na saprophytic on deciduous trees Campos Ziegenbein et al. 2006 Eukaryota Spongiporus Leucomallellus na saprophytic mostly on wet, old pines Campos Ziegenbein et al. 2006 Eukaryota Fomitopsis Pinicola na Germany Rösecke et al. 2000 Eukaryota Trametes Suaveolens na near Zachersmühle, Göppingen, southern Germany Rösecke et al. 2000 Eukaryota Pleurotus Eryngii na na Usami et al. 2014 Eukaryota Tuber Melanosporum None T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b Eukaryota Tuber Indicum None T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022 Eukaryota Saccharomyces Cerevisiae NA NA Harris et al. 2021 Prokaryota Enterobacter Sp. NA NA Almeida et al. 2022 Meyerozyma Guilliermondii Xiong et al. 2023 Enterobacter Agglomerans Tallon et al. 2023 Enterobacter Cloacae Tallon et al. 2023 Klebsiella Oxytoca Tallon et al. 2023 Saccharomyces Cerevisiae Peng et al. 2023 Staphylococcus Aureus Wang et al. 2023 Pediococcus Acidilactici Mockus et al. 2024

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Escherichia Coli LB MCC-IMS no Prokaryota Pseudomonas Aeruginosa LB MCC-IMS no Eukaryota Candida Parapsilosis TSB SPME/GC-MS no Eukaryota Aspergillus Niger Yeast Glucose Chloramphenicol SPME/GCxGC-MS no Eukaryota Candida Albicans Yeast Glucose Chloramphenicol SPME/GCxGC-MS no Eukaryota Penicillium Chrysogenum Yeast Glucose Chloramphenicol SPME/GCxGC-MS no Prokaryota Staphylococcus Aureus Mueller Hinton broth (MB), tryptic soy broth (TSB) SPME, DVB/CAR/PDMS, GC-MS no Prokaryota Acinetobacter Radioresistens TSA SPME, GC-MS no Prokaryota Staphylococcus Epidermidis MOPS glucose+EZ SPME, GC-MS no Prokaryota Pseudomonas Sp. LB media HS-SPME/GC-MS no Eukaryota Candida Albicans YGC media HS-SPME/GC-GC-ToFMS no Eukaryota Candida Glabrata YGC media HS-SPME/GC-GC-ToFMS no Eukaryota Candida Tropicalis YGC media HS-SPME/GC-GC-ToFMS no Eukaryota Tuber Magnatum GC-MS-O no Prokaryota Staphylococcus Epidermidis BHI media, LB media, MHB media, TSB media HS-SPME/GC×GC-TOFMS no Prokaryota Bacillus Cereus LB agar HS-SPME/GC-MS yes Eukaryota Botrytis Sp. no Eukaryota Fusarium Sp. no Eukaryota Aspergillus Sp. no Eukaryota Ganoderma Applanatum no Prokaryota Bacillus Simplex n/a n/a no Prokaryota Bacillus Subtilis n/a n/a no Prokaryota Bacillus Weihenstephanensis n/a n/a no Prokaryota Microbacterium Oxydans n/a n/a no Prokaryota Stenotrophomonas Maltophilia n/a n/a no Prokaryota Streptomyces Lateritius n/a n/a no Prokaryota Serratia Marcescens n/a n/a no Prokaryota Staphylococcus Xylosus n/a n/a no Prokaryota Lactococcus Sp. n/a n/a no Prokaryota Arthrobacter Globiformis n/a n/a no Prokaryota Bacillus Sp. n/a n/a no Prokaryota Alcaligenes Faecalis n/a n/a no Prokaryota Arthrobacter Nitroguajacolicus n/a n/a no Prokaryota Lysobacter Gummosus n/a n/a no Prokaryota Sporosarcina Ginsengisoli n/a n/a no Eukaryota Tuber Aestivum n/a n/a no Eukaryota Tuber Melanosporum n/a n/a no Prokaryota Burkholderia Graminis MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD) no Eukaryota Ganoderma Lucidum na GC/MS no Eukaryota Spongiporus Leucomallellus na GC/MS no Eukaryota Fomitopsis Pinicola na GC/MS no Eukaryota Trametes Suaveolens na GC/MS no Eukaryota Pleurotus Eryngii na GC/MS, GC-O, AEDA no Eukaryota Tuber Melanosporum None None yes Eukaryota Tuber Indicum None None yes Prokaryota Lentilactobacillus Buchneri maize silage HS-SPME coupled with GC-TOF MS no Prokaryota Lacticaseibacillus Paracasei maize silage HS-SPME coupled with GC-TOF MS no Eukaryota Saccharomyces Cerevisiae malt extract broth HS-SPME with GC-MS no Prokaryota Enterobacter Sp. LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol) SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation) no Meyerozyma Guilliermondii YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose GC-MS and GC-IMS no Enterobacter Agglomerans tryptone soya broth (TSB) media Tenax/GC/MS no Enterobacter Cloacae tryptone soya broth (TSB) media Tenax/GC/MS no Klebsiella Oxytoca tryptone soya broth (TSB) media Tenax/GC/MS no Saccharomyces Cerevisiae sea buckthorn juice HS-SPME-GC–MS/UHPLC–MS no Staphylococcus Aureus raw Shiyang chicken HS-GC-IMS/HS-SPME-GC-MS no Pediococcus Acidilactici lentils (Lens culinaris) SPME/ICP-MS no