Results for:
PubChem ID: 24020

Ethyl 2-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names	Ethyl 2-methylbutyrate 7452-79-1 ETHYL 2-METHYLBUTANOATE Butanoic acid, 2-methyl-, ethyl ester Ethyl 2-methyl butyrate Butyric acid, 2-methyl-, ethyl ester D-ethyl 2-methylbutyrate Ethyl alpha-methylbutyrate 2-Methylbutanoic acid ethyl ester Ethyl .alpha.-methylbutyrate FEMA No. 2443 ethyl 2-methyl-butanoate NSC 1103 Ethyl2-Methylbutyrate-D3 L1T4AB29DS NSC-1103 (2R)-2-Methyl-butanoicAcidEthylEster WE(2:0/4:0(2Me)) DL-2-Methylbutyric Acid Ethyl Ester UNII-L1T4AB29DS Ethyl 2-methylbutyrate (natural) EINECS 231-225-4 MFCD00012217 ethyl-2-methylbutanoate AI3-35155 Ethyl DL-2-Methylbutyrate EC 231-225-4 Ethyl alpha -methylbutyrate ETHYL2-METHYLBUTANOATE SCHEMBL118486 Ethyl 2-methylbutyrate, 99% DTXSID3052488 CHEBI:88452 FEMA 2443 NSC1103 LMFA07010506 ETHYL 2-METHYLBUTYRATE [FCC] AKOS009166025 ETHYL 2-METHYLBUTYRATE [FHFI] CS-W011108 LS-13338 2-Methyl-ethyl ester(.+-.)-Butanoic acid DB-055889 ETHYL 2-METHYLBUTANOATE, (+/-)- 2-Methyl-ethyl ester(.+/-.)-Butanoic acid Ethyl 2-methylbutyrate, >=98%, FCC, FG M0757 NS00001050 Butyric acid, 2-methyl-, ethyl ester (8CI) A838160 Q-201079 Q1371466 InChI=1/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H
Microorganism:	Yes
IUPAC name	ethyl 2-methylbutanoate
SMILES	CCC(C)C(=O)OCC
Inchi	InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
Formula	C7H14O2
PubChem ID	24020
Molweight	130.18
LogP	1.9
Atoms	9
Bonds	4
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	88452
Supernatural-ID	SN0122001

mVOC Specific Details

Boiling Point	Degree Reference 132 median
MS-Links	MS-MS Spectrum 92202 MS-MS Spectrum 155785 MS-MS Spectrum 155786 MS-MS Spectrum 92203 MS-MS Spectrum 155784 MS-MS Spectrum 92204
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007085

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Staphylococcus Aureus NA NA Fitzgerald et al. 2021 Eukaryota Candida Krusei NA NA Hertel et al. 2016a Eukaryota Candida Glabrata NA NA Hertel et al. 2016a Eukaryota Candida Albicans NA NA Hertel et al. 2016a Eukaryota Candida Tropicalis NA NA Hertel et al. 2016a Prokaryota Pseudomonas Aeruginosa NA NA Filipiak et al. 2012 Prokaryota Staphylococcus Aureus China Center of Industrial Culture collection Wang et al. 2018 Eukaryota Aspergillus Clavatus NA Dickschat et al. 2018 Prokaryota Bacillus Tequilensis antifungal activity against the hyphae growth of Ceratocystis fimbriata rhizosphere soil of a sweet potato variety (Xushu-36) from Xuzhou Academy of Agricultural Sciences in China in 2016 Xu et al. 2021 Eukaryota Aspergillus Flavus ITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, Italy Josselin et al. 2021 Prokaryota Staphylococcus Aureus Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH Fitzgerald et al. 2020 Prokaryota Staphylococcus Epidermidis strains were provided by Prof. O'Gara at NUI Galway Fitzgerald et al. 2020 Eukaryota Penicillium Chrysogenum n/a Landes-Gesundheitsamt Stuttgart, Germany Matysik et al. 2008 Eukaryota Tuber Aestivum n/a Ayme Truffe of Grignan, 26230 France March et al. 2006 Eukaryota Tuber Brumale n/a Ayme Truffe of Grignan, 26230 France March et al. 2006 Eukaryota Tuber Melanosporum n/a Ayme Truffe of Grignan, 26230 France March et al. 2006 Eukaryota Tuber Mesentericum n/a Ayme Truffe of Grignan, 26230 France March et al. 2006 Eukaryota Tuber Rufum n/a Ayme Truffe of Grignan, 26230 France March et al. 2006 Eukaryota Tuber Simonea n/a Ayme Truffe of Grignan, 26230 France March et al. 2006 Eukaryota Tuber Borchii T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b Prokaryota Escherichia Coli n/a NA Tait et al. 2014 Prokaryota Klebsiella Pneumoniae n/a NA Tait et al. 2014 Prokaryota Staphylococcus Aureus n/a NA Tait et al. 2014 Prokaryota Staphylococcus Aureus n/a NA Hettinga et al. 2008 Prokaryota Coagulase-negative Staphylococci n/a NA Hettinga et al. 2008 Eukaryota Tuber Melanosporum n/a Prof. Mattia Bentivenga (Università di Perugia, Perugia, Italy) Mauriello et al. 2004 Eukaryota Geotrichum Candidum compost mixed with milky fermented product Zirbes et al. 2011 Prokaryota Nannocystis Exedens n/a NA Dickschat et al. 2007 Eukaryota Penicillium Commune na in dry-cured meat products, cheese Sunesson et al. 1995 Eukaryota Tuber Mesentericum None None March et al. 2006 Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022 Eukaryota Aureobasidium Pullulans NA NA Mozūraitis et al. 2022 Eukaryota Cryptococcus Wieringae NA NA Mozūraitis 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 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 Psychrobacillus Vulpis NA NA Toral et al. 2021 Eukaryota Wickerhamomyces Anomalus NA NA Zhao et al. 2022 Saccharomyces Cerevisiae Qin et al. 2024 Lentinula Edodes Geng et al. 2024 Microbacterium Ballot et al. 2023 Lactobacillus Plantarum Zhang et al. 2023 Saccharomyces Cerevisiae Ji et al. 2024 Saccharomyces Cerevisiae Peng et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Staphylococcus Aureus BHI SPME/GC-MS no Prokaryota Staphylococcus Aureus LB SPME/GC-MS no Prokaryota Staphylococcus Aureus TSB SPME/GC-MS no Eukaryota Candida Krusei SDA TD/GC-MS no Eukaryota Candida Glabrata SDA TD/GC-MS no Eukaryota Candida Albicans SDA TD/GC-MS no Eukaryota Candida Tropicalis SDA TD/GC-MS no Prokaryota Pseudomonas Aeruginosa tryptic soy broth TD/GC-MS no Prokaryota Staphylococcus Aureus Sodium chloride broth SPME, GC-MS no Eukaryota Aspergillus Clavatus medium 129 CLSA-GCMS no Prokaryota Bacillus Tequilensis LB media HS-SPME/GC-MS no Eukaryota Aspergillus Flavus SNA media SPME/GC-MS no Prokaryota Staphylococcus Aureus TSB media HS-SPME/GC-MS no Prokaryota Staphylococcus Epidermidis TSB media HS-SPME/GC-MS no Eukaryota Penicillium Chrysogenum DG 18 agar (dichloran chloramphenicol) n/a no Eukaryota Tuber Aestivum n/a Pressure balanced head-space sampling and GC/TOF-MS no Eukaryota Tuber Brumale n/a Pressure balanced head-space sampling and GC/TOF-MS no Eukaryota Tuber Melanosporum n/a Pressure balanced head-space sampling and GC/TOF-MS no Eukaryota Tuber Mesentericum n/a Pressure balanced head-space sampling and GC/TOF-MS no Eukaryota Tuber Rufum n/a Pressure balanced head-space sampling and GC/TOF-MS no Eukaryota Tuber Simonea n/a Pressure balanced head-space sampling and GC/TOF-MS no Eukaryota Tuber Borchii yes Prokaryota Escherichia Coli BHI Broth/ TS Broth/Glucose EF base broth GC-MS /Polar and non-polar GC Column no Prokaryota Klebsiella Pneumoniae BHI Broth/ TS Broth/Glucose EF base broth GC-MS /Polar and non-polar GC Column no Prokaryota Staphylococcus Aureus BHI Broth/ TS Broth/Glucose EF base broth GC-MS /Polar and non-polar GC Column no Prokaryota Staphylococcus Aureus Milk HS-SPME/GC-MS no Prokaryota Coagulase-negative Staphylococci Milk HS-SPME/GC-MS no Eukaryota Tuber Melanosporum n/a microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS) no Eukaryota Geotrichum Candidum medium 863 SPME-GC-MS yes Prokaryota Nannocystis Exedens n/a n/a no Eukaryota Penicillium Commune MEA GC/MS no Eukaryota Tuber Mesentericum None Pressure balanced head-space sampling and GC/TOF-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 Aureobasidium Pullulans YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Cryptococcus Wieringae YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) 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 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 Psychrobacillus Vulpis MOLP HS-SPME-GC/MS no Prokaryota Psychrobacillus Vulpis Schaeffer’s growth (SG) medium HS-SPME-GC/MS no Eukaryota Wickerhamomyces Anomalus synthetic grape juice HS-SPME no Saccharomyces Cerevisiae fermentation of mulberry wine HS-SPME-GC-MS no Lentinula Edodes Jiuqu (traditional wheat Qu) GC-IMS no Microbacterium tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany) GC-QQQ-MS no Lactobacillus Plantarum Habanero pepper GC–IMS no Saccharomyces Cerevisiae Sauce Meat during Storage SPME–GC–MS no Saccharomyces Cerevisiae sea buckthorn juice HS-SPME-GC–MS/UHPLC–MS no