Results for:
PubChem ID: 12209

2-methylbutyl Acetate

Mass-Spectra

Compound Details

Synonymous names	2-METHYLBUTYL ACETATE 624-41-9 2-Methyl-1-butyl acetate 1-Butanol, 2-methyl-, acetate Acetic acid 2-methylbutyl ester 2-methyl-1-butanol acetate FEMA No. 3644 2-methylbutanol acetate 1-Butanol, 2-methyl-, 1-acetate Active amyl acetate 2-Methybutyl acetate IY8732E0YC DTXSID2027254 CHEBI:50585 2-methyl butyl acetate 2-Methylbutyl acetate (natural) EINECS 210-843-8 UNII-IY8732E0YC starbld0000221 Aceticacidmethylbutylester ?-METHYLBUTYL ACETATE SCHEMBL309720 DTXCID207254 CHEMBL3188103 FEMA 3644 XHIUFYZDQBSEMF-UHFFFAOYSA- 2-Methylbutyl acetate, 99%, FG 2-METHYLBUTYL ACETATE [FCC] Tox21_200883 MFCD00040494 2-METHYLBUTYL ACETATE [FHFI] AKOS015902767 (+/-)-2-METHYLBUTYL ACETATE NCGC00248864-01 NCGC00258437-01 2-METHYLBUTYL ACETATE, (+/-)- CAS-624-41-9 LS-13346 2-Methylbutyl acetate, analytical standard 2-Methylbutyl Acetate (Active Amyl Acetate) A1076 CS-0454341 NS00019439 2-Methylbutyl acetate, natural, >=95%, FG F87378 InChI=1/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
Microorganism:	Yes
IUPAC name	2-methylbutyl acetate
SMILES	CCC(C)COC(=O)C
Inchi	InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
Formula	C7H14O2
PubChem ID	12209
Molweight	130.18
LogP	2.1
Atoms	9
Bonds	4
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	50585
Supernatural-ID	SN0430221

mVOC Specific Details

Boiling Point	Degree Reference 138 median
MS-Links	MS-MS Spectrum 9542 MS-MS Spectrum 16215 MS-MS Spectrum 9544 MS-MS Spectrum 9543 MS-MS Spectrum 16216 MS-MS Spectrum 16214
MS-Links	GC-MS Spectrum 3236
1D-NMR-Links	1D NMR Spectrum 4636 1D NMR Spectrum 4510

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Aspergillus Clavatus NA Dickschat et al. 2018 Eukaryota Fusarium Oxysporum NA Moisan et al. 2021 Prokaryota Staphylococcus Aureus American Type Culture Collection Jenkins and Bean 2020 Prokaryota Staphylococcus Epidermidis American Type Culture Collection Jenkins and Bean 2020 Eukaryota Tuber Aestivum NA March et al. 2006 Eukaryota Muscodor Fengyangensis n/a Zhejiang Province of Southeast China Zhang et al. 2010 Prokaryota Xanthomonas Campestris n/a NA Weise et al. 2012 Prokaryota Klebsiella Sp. n/a NA Schulz and Dickschat 2007 Eukaryota Metschnikowia Pulcherrima NA NA Ljunggren et al. 2019 Eukaryota Metschnikowia Fructicola NA NA Ljunggren et al. 2019 Lactobacillus Plantarum Zhang et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Aspergillus Clavatus medium 129 CLSA-GCMS no Eukaryota Fusarium Oxysporum 1/5th PDA medium GC-MS no Prokaryota Staphylococcus Aureus TSB media HS-SPME/GC×GC-TOFMS no Prokaryota Staphylococcus Epidermidis BHI media HS-SPME/GC×GC-TOFMS no Eukaryota Tuber Aestivum Pressure balanced head-space sampling and GC/TOF-MS no Eukaryota Muscodor Fengyangensis potato dextrose agar The MVOCs emitted by the mycelia of Muscodor were investigated by Solid phase microextraction/Gas chromatograph/Mass spectra (SPME/GC/MS). no Prokaryota Xanthomonas Campestris NBII Closed airflow-system/GC-MS and PTR-MS no Prokaryota Klebsiella Sp. n/a n/a no Eukaryota Metschnikowia Pulcherrima liquid YPD medium GC-MS no Eukaryota Metschnikowia Fructicola liquid YPD medium GC-MS no Lactobacillus Plantarum Habanero pepper GC–IMS no