Results for:
PubChem ID: 7342

Ethyl 2-methylpropanoate

Mass-Spectra

Compound Details

Synonymous names	ETHYL ISOBUTYRATE 97-62-1 Ethyl 2-methylpropanoate Isobutyric acid ethyl ester Ethylisobutyrate Ethyl isobutanoate Propanoic acid, 2-methyl-, ethyl ester Ethyl 2,2-dimethylacetate Isobutyric acid, ethyl ester Ethyl 2-methylpropionate FEMA No. 2428 Propionic acid, 2-methyl-, ethyl ester Ethyl iso-butyrate NSC 97194 Ethyl Isobutyrate-d6 ethyl 2-methyl-propionyl CHEBI:87303 9A9661LN4H 2-methyl-propanoic acid ethyl ester NSC-97194 Ethyl ester of 2-methyl-propanoic acid WE(2:0/3:0(2Me)) Ethyl isobutyrate (natural) EINECS 202-595-4 UN2385 BRN 0773846 UNII-9A9661LN4H AI3-06121 2-methylpropanoic acid ethyl ester 2-methyl-propionic acid ethyl ester Ethylmethylpropanoate ethyl methylpropanoate Ethyl-2-methylproanoate Ethyl isobutyrate, 99% isobutanoic acid ethyl ester SCHEMBL80284 ETHYL ISOBUTYRATE [MI] CHEMBL295870 Ethyl 2-methylpropanoate, 9CI WLN: 2OVY1&1 ETHYL ISOBUTYRATE [FCC] DTXSID7047728 ETHYL ISOBUTYRATE [FHFI] FEMA 2428 2-methylpropanoic acid, ethyl ester NSC97194 ISO BUTYRIC ACID ETHYL ESTER LMFA07010503 MFCD00009165 Ethyl isobutyrate, analytical standard AKOS008948132 MCULE-7190269066 UN 2385 Ethyl isobutyrate, >=98%, FCC, FG BS-24579 I0105 NS00012423 EN300-45229 Ethyl isobutyrate, natural, >=98%, FCC, FG Ethyl isobutyrate [UN2385] [Flammable liquid] Q-201085 Q27159510 InChI=1/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H
Microorganism:	Yes
IUPAC name	ethyl 2-methylpropanoate
SMILES	CCOC(=O)C(C)C
Inchi	InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
Formula	C6H12O2
PubChem ID	7342
Molweight	116.16
LogP	1.5
Atoms	8
Bonds	3
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	87303
Supernatural-ID	SN0407001

mVOC Specific Details

Boiling Point	Degree Reference 112 median
MS-Links	MS-MS Spectrum 84601 MS-MS Spectrum 84600 MS-MS Spectrum 146491 MS-MS Spectrum 146492 MS-MS Spectrum 146490 MS-MS Spectrum 84602
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002555 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005912 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005978 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006964

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Candida Albicans NA NA Fitzgerald et al. 2022 Eukaryota Candida Parapsilosis NA NA Fitzgerald et al. 2022 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 Eukaryota Geotrichum Candidum compost mixed with milky fermented product Zirbes et al. 2011 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 Actinomycetes Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Streptomyces Sp. n/a NA Dickschat et al. 2005_2 Prokaryota Nannocystis Exedens n/a NA Dickschat et al. 2007 Eukaryota Cryptococcus Nemorosus NA NA Ljunggren et al. 2019 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 Pichia Fermentans NA NA Mozūraitis et al. 2022 Prokaryota Psychrobacillus Vulpis NA NA Toral et al. 2021 Eukaryota Wickerhamomyces Anomalus NA NA Zhao et al. 2022 Eukaryota Brettanomyces Bruxellensis NA NA Tran et al. 2022 Meyerozyma Guilliermondii Xiong et al. 2023 Saccharomyces Cerevisiae Qin et al. 2024 Saccharomyces Cerevisiae Ji et al. 2024 Staphylococcus Aureus Wang et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Candida Albicans YPD SPME/GC-MS no Eukaryota Candida Parapsilosis YPD SPME/GC-MS no Eukaryota Aspergillus Flavus SNA media SPME/GC-MS no Eukaryota Geotrichum Candidum medium 863 SPME-GC-MS yes Eukaryota Tuber Borchii yes Prokaryota Actinomycetes Sp. n/a n/a no Prokaryota Streptomyces Sp. n/a n/a no Prokaryota Nannocystis Exedens n/a n/a no Eukaryota Cryptococcus Nemorosus liquid YPD medium GC-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 Pichia Fermentans 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 Eukaryota Brettanomyces Bruxellensis sugared green and black tea HS-SPME-GC/MS no Meyerozyma Guilliermondii YEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextrose GC-MS and GC-IMS no Saccharomyces Cerevisiae fermentation of mulberry wine HS-SPME-GC-MS no Saccharomyces Cerevisiae Sauce Meat during Storage SPME–GC–MS no Staphylococcus Aureus raw Shiyang chicken HS-GC-IMS/HS-SPME-GC-MS no