Results for:
PubChem ID: 10895

2-methylpropyl Propanoate

Mass-Spectra

Compound Details

Synonymous names	Isobutyl propionate 540-42-1 Isobutyl propanoate 2-METHYLPROPYL PROPANOATE Propanoic acid, 2-methylpropyl ester Propionic Acid Isobutyl Ester 2-Methylpropyl propionate Propionic acid, isobutyl ester 2-Methyl-1-propyl propanoate FEMA No. 2212 iso-Butyl n-propionate 8Q382JSY9T Isobutyl ester of propanoic acid NSC-8450 WE(3:0(2Me)/3:0) Isobutyl propionate (natural) NSC 8450 EINECS 208-746-0 UN2394 BRN 1745554 UNII-8Q382JSY9T isobutylpropionat AI3-28238 Propanoic acid 2-methylpropyl ester Isobutyl propionate, 98% Isobutyl propionate [UN2394] [Flammable liquid] SCHEMBL124736 DTXSID8060240 ISOBUTYL PROPIONATE [MI] WLN: 2VO1Y1&1 CHEBI:88813 FEMA 2212 NSC8450 ISOBUTYL PROPIONATE [FHFI] Isobutyl propionate, >=98%, FG LMFA07010567 MFCD00009307 AKOS015895155 MCULE-4196106578 UN 2394 Isobutyl propionate, natural, 98%, FG LS-13343 NS00012687 P0506 Isobutyl propionate [UN2394] [Flammable liquid] Q27160785 InChI=1/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H
Microorganism:	Yes
IUPAC name	2-methylpropyl propanoate
SMILES	CCC(=O)OCC(C)C
Inchi	InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3
Formula	C7H14O2
PubChem ID	10895
Molweight	130.18
LogP	2.2
Atoms	9
Bonds	4
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	88813
Supernatural-ID	SN0100042

mVOC Specific Details

Boiling Point	Degree Reference 66 median
MS-Links	MS-MS Spectrum 42895 MS-MS Spectrum 42894 MS-MS Spectrum 144870 MS-MS Spectrum 144872 MS-MS Spectrum 42896 MS-MS Spectrum 144871
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001497 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005898 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005961 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006393

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Klebsiella Pneumoniae NA Rees et al. 2017 Prokaryota Xanthomonas Campestris n/a NA Weise et al. 2012 Eukaryota Antrodia Camphorata NA Chen et al. 2007 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 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 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

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Klebsiella Pneumoniae LB SPME / GCxGC-TOFMS no Prokaryota Xanthomonas Campestris NBII Closed airflow-system/GC-MS and PTR-MS no Eukaryota Antrodia Camphorata 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 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 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