Results for:
PubChem ID: 7654

2-phenylethyl Acetate

Mass-Spectra

Compound Details

Synonymous names	Phenethyl acetate 2-Phenylethyl acetate 103-45-7 2-Phenethyl acetate Acetic acid, 2-phenylethyl ester Benzylcarbinyl acetate beta-Phenylethyl acetate Acetic Acid Phenethyl Ester Acetic acid, phenethyl ester Phenethyl alcohol, acetate Phenylethyl acetate phenethylacetate Ethanol, 2-phenyl-, acetate beta-Phenethyl acetate FEMA No. 2857 NSC 71927 .beta.-Phenethyl acetate .beta.-Phenylethyl acetate Phenylethyl acetate-.beta. DTXSID7044506 CHEBI:31988 Acetic acid beta-phenylethyl ester NSC-71927 67733846OW Phenethyl acetate (natural) 2-Phenylethylacetate EINECS 203-113-5 BRN 0638179 AI3-03878 Acetic Acid 2-Phenylethyl Ester FEMA 2857 UNII-67733846OW 2-phenylethyl ester beta -phenethyl acetate Phenylethyl acetate-beta beta -phenylethyl acetate EC 203-113-5 2-Phenethyl acetate, 99% NCIOpen2_000347 WLN: 1VO2R .beta.-Phenylethanol acetate 2-Phenylethyl acetate, 9CI SCHEMBL111422 SCHEMBL8509205 PHENETHYL ACETATE [FCC] CHEMBL3184025 DTXCID5024506 PHENETHYL ACETATE [FHFI] PHENETHYL ACETATE [INCI] Acetic acid beta -phenylethyl ester NSC71927 Tox21_301027 Acetic acid .beta.-phenylethyl ester MFCD00008720 Phenethyl acetate, analytical standard AKOS005207039 MCULE-2877884154 Phenethyl acetate, >=98%, FCC, FG NCGC00248260-01 NCGC00254929-01 AC-18657 BS-42314 CAS-103-45-7 A0692 CS-0154998 NS00006759 Phenethyl acetate, natural, >=98%, FCC, FG A851581 Q6856299 W-108850 InChI=1/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H
Microorganism:	Yes
IUPAC name	2-phenylethyl acetate
SMILES	CC(=O)OCCC1=CC=CC=C1
Inchi	InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
Formula	C10H12O2
PubChem ID	7654
Molweight	164.2
LogP	2.3
Atoms	12
Bonds	4
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	benzenoids esters aromatic compounds
CHEBI-ID	31988
Supernatural-ID	SN0222536

mVOC Specific Details

Boiling Point	Degree Reference 238 median
MS-Links	MS-MS Spectrum 22138 MS-MS Spectrum 20585 MS-MS Spectrum 20137 MS-MS Spectrum 20135 MS-MS Spectrum 21688 MS-MS Spectrum 20136 MS-MS Spectrum 22137 MS-MS Spectrum 20587 MS-MS Spectrum 20586 MS-MS Spectrum 21686 MS-MS Spectrum 22136 MS-MS Spectrum 21687
1D-NMR-Links	1D NMR Spectrum 4539 1D NMR Spectrum 4421
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001208 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001209 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002533 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006377 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008053

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference 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 Proteus Mirabilis NA NA Jünger et al. 2012 Prokaryota Streptococcus Agalactiae NA NA Jünger et al. 2012 Prokaryota Corynebacterium Striatum clinical isolate Lemfack et al. 2016 Eukaryota Fusarium Oxysporum 0 NA Li et al. 2018 Eukaryota Candida Sake King George Island, South Shetland Islands, Antarctica Arrarte et al. 2017 Eukaryota Fusarium Oxysporum NA Li et al. 2018 Prokaryota Pseudomonas Pseudoalcaligenes promotes the growth of Zea mays L. and confer the resistance to drought stress in this maize Applied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University Islamabad Yasmin et al. 2021 Eukaryota Grosmannia Clavigera Northern Forestry Centre Culture Collection (Edmonton, Alberta), originally cultured from the phloem of MPB-infested lodgepole pine trees near Banff, Alberta Wang et al. 2020 Prokaryota Paenibacillus Etheri isolate from the lichen Rhizocarpon geographicum Miral et al. 2022 Eukaryota Metschnikowia Reukaufii inhibitory and promoting effects on the growth of different microorganisms isolate from Aconitum piepunense, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China) Niu et al. 2022 Eukaryota Debaryomyces Hansenii inhibitory and promoting effects on the growth of different microorganisms isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China) Niu et al. 2022 Eukaryota Mrakia Blollopis inhibitory and promoting effects on the growth of different microorganisms isolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China) Niu et al. 2022 Eukaryota Tausonia Pullulans inhibitory and promoting effects on the growth of different microorganisms isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China) Niu et al. 2022 Eukaryota Cystofilobasidium Sp. inhibitory and promoting effects on the growth of different microorganisms isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China) Niu et al. 2022 Eukaryota Cystofilobasidium Capitatum inhibitory and promoting effects on the growth of different microorganisms isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China) Niu et al. 2022 Eukaryota Muscodor Crispans Wild pineapple plant, Ananas ananassoides Mitchell et al. 2010 Prokaryota Streptomyces Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Streptomyces Sp. n/a NA Dickschat et al. 2005_2 Prokaryota Xanthomonas Campestris n/a NA Weise et al. 2012 Eukaryota Hansenula Holstii whole beetles, beetle guts, loblolly pine Brand et al. 1977 Eukaryota Ascocoryne Sp. NA Griffin et al. 2010 Eukaryota Fusarium Sp. NA Brock et al. 2011 Eukaryota Muscodor Sp. NA Zhang et al. 2010 Eukaryota Xylaria Sp. na Haematoxylon brasiletto, Morelos, Mexico Sánchez-Ortiz et al. 2016 Eukaryota Muscodor Albus n/a NA Corcuff et al. 2011 Eukaryota Ascocoryne Sarcoides n/a NA Mallette et al.  2012 Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022 Eukaryota Metschnikowia Fructicola NA NA Ljunggren et al. 2019 Eukaryota Hanseniaspora Uvarum NA NA Ge et al. 2021 Eukaryota Saccharomycopsis Crataegensis NA NA Ge et al. 2021 Eukaryota Metschnikowia Pulcherrima NA NA Ge et al. 2021 Eukaryota Pichia Kluyveri NA NA Ge et al. 2021 Eukaryota Rhodosporidiobolus Lusitaniae NA NA Ge et al. 2021 Eukaryota Saccharomyces Cerevisiae NA NA Harris et al. 2021 Eukaryota Saccharomyces Eubayanus NA NA Mardones et al. 2022 Eukaryota Hanseniaspora Uvarum NA NA Mozūraitis et al. 2022 Eukaryota Pichia Kudriavzevii NA NA Mozūraitis et al. 2022 Eukaryota Pichia Fermentans NA NA Mozūraitis et al. 2022 Eukaryota Pichia Kluyveri NA NA Mozūraitis et al. 2022 Eukaryota Saccharomyces Paradoxus NA NA Mozūraitis et al. 2022 Eukaryota Torulaspora Delbrueckii NA NA Mozūraitis et al. 2022 Eukaryota Pichia Anomala NA NA Mozūraitis et al. 2022 Eukaryota Metschnikowia Pulcherrima NA NA Mozūraitis et al. 2022 Prokaryota Lactobacillus Plantarum NA NA Zhang et al. 2022 Eukaryota Wickerhamomyces Anomalus NA NA Shi et al. 2022 Eukaryota Saccharomyces Eubayanus NA NA Urbina et al. 2020 Eukaryota Saccharomyces Eubayanus NA NA Mardones et al. 2020 Eukaryota Meyerozyma Guilliermondii NA NA Zhao et al. 2022 Eukaryota Saccharomyces Cerevisiae NA NA Zhao et al. 2022 Eukaryota Saturnispora Diversa NA NA Zhao et al. 2022 Eukaryota Wickerhamomyces Anomalus NA NA Zhao et al. 2022 Eukaryota Hanseniaspora Valbyensis NA NA Tran et al. 2022

Method

Kingdom Species Growth Medium Applied Method Verification 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 Proteus Mirabilis Columbia sheep blood TD/GC-MS and MCC-IMS no Prokaryota Streptococcus Agalactiae Columbia sheep blood TD/GC-MS and MCC-IMS no Prokaryota Corynebacterium Striatum brain heart infusion medium Porapak / GC/MS no Eukaryota Fusarium Oxysporum PDA plate SPME-GC-MS no Eukaryota Candida Sake Yeast Nitrogen base with 1% pectin SPME / GCMS no Eukaryota Fusarium Oxysporum potato dextrose agar SPME, GC-MS no Prokaryota Pseudomonas Pseudoalcaligenes LB media SPME/GC-MS no Eukaryota Grosmannia Clavigera PDA media GC-MS no Prokaryota Paenibacillus Etheri GYM Streptomyces agar medium SPME/GC-MS yes Eukaryota Metschnikowia Reukaufii artificial nectar media GC-MS no Eukaryota Debaryomyces Hansenii artificial nectar media GC-MS no Eukaryota Mrakia Blollopis artificial nectar media GC-MS no Eukaryota Tausonia Pullulans artificial nectar media GC-MS no Eukaryota Cystofilobasidium Sp. artificial nectar media GC-MS no Eukaryota Cystofilobasidium Capitatum artificial nectar media GC-MS no Eukaryota Muscodor Crispans potato dextrose agar SPME-GC-MS yes Prokaryota Streptomyces Sp. n/a n/a no Prokaryota Xanthomonas Campestris NBII Closed airflow-system/GC-MS and PTR-MS no Eukaryota Hansenula Holstii PYG GC-MS no Eukaryota Ascocoryne Sp. no Eukaryota Fusarium Sp. no Eukaryota Muscodor Sp. no Eukaryota Xylaria Sp. PDA medium SPME-GC/MS yes Eukaryota Muscodor Albus n/a Headspace sampler/GC-MS no Eukaryota Ascocoryne Sarcoides Minimal medium PTR-MS and SPME GC-MS no 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 Metschnikowia Fructicola liquid YPD medium GC-MS no Eukaryota Hanseniaspora Uvarum grape juice LC-15C HPLC no Eukaryota Saccharomycopsis Crataegensis grape juice LC-15C HPLC no Eukaryota Metschnikowia Pulcherrima grape juice LC-15C HPLC no Eukaryota Pichia Kluyveri grape juice LC-15C HPLC no Eukaryota Rhodosporidiobolus Lusitaniae grape juice LC-15C HPLC no Eukaryota Saccharomyces Cerevisiae malt extract broth HS-SPME with GC-MS no Eukaryota Saccharomyces Eubayanus YPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%) HS‐SPME‐GC‐MS no Eukaryota Hanseniaspora Uvarum YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Pichia Kudriavzevii YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Pichia Fermentans YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Pichia Kluyveri YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Saccharomyces Paradoxus YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Torulaspora Delbrueckii YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Pichia Anomala YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Metschnikowia Pulcherrima YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Prokaryota Lactobacillus Plantarum chickpea milk UHPLC/MS no Eukaryota Wickerhamomyces Anomalus medium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l) SPME with GC-MS no Eukaryota Wickerhamomyces Anomalus solid-state fermentation starter culture Daqu SPME coupled with GC-MS no Eukaryota Saccharomyces Eubayanus beer wort HS-SPME-GC-MS no Eukaryota Saccharomyces Eubayanus beer wort HS‐GC‐FID no Eukaryota Meyerozyma Guilliermondii synthetic grape juice HS-SPME no Eukaryota Saccharomyces Cerevisiae synthetic grape juice HS-SPME no Eukaryota Saturnispora Diversa synthetic grape juice HS-SPME no Eukaryota Wickerhamomyces Anomalus synthetic grape juice HS-SPME no Eukaryota Hanseniaspora Valbyensis sugared green and black tea HS-SPME-GC/MS no