Results for:
PubChem ID: 7772

3-methylbutyl Propanoate

Mass-Spectra

Compound Details

Synonymous names	Isoamyl propionate 105-68-0 3-Methylbutyl propanoate ISOAMYL PROPANOATE Isopentyl propionate 3-Methylbutyl propionate Isopentyl propanoate Isopentyl alcohol, propionate 1-Butanol, 3-methyl-, propanoate iso-Pentyl propionate Propionic acid, isopentyl ester 3-Methyl-1-butyl propanoate 1-Butanol, 3-methyl-, 1-propanoate FEMA No. 2082 NSC 7932 iso-Amyl n-propionate Propionic Acid Isoamyl Ester NSC-7932 2A8739M82Z WE(4:0(3Me)/3:0) Isoamyl propionate (natural) EINECS 203-322-1 BRN 1747359 AI3-33594 UNII-2A8739M82Z 1-Butanol, propanoate propionic acid isopentyl ester AMYL PROPIONATE [FCC] SCHEMBL126952 DTXSID5047613 CHEBI:87419 FEMA 2082 ISOAMYL PROPIONATE [FHFI] NSC7932 LMFA07010573 MFCD00048611 AKOS015907837 Isoamyl propionate, mixture of isomers Isoamyl propionate, >=98%, FCC, FG LS-13518 I0677 NS00012664 Isoamyl propionate, natural, >=98%, FCC, FG Q10869280
Microorganism:	Yes
IUPAC name	3-methylbutyl propanoate
SMILES	CCC(=O)OCCC(C)C
Inchi	InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3
Formula	C8H16O2
PubChem ID	7772
Molweight	144.21
LogP	2.5
Atoms	10
Bonds	5
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	87419
Supernatural-ID	SN0424973

mVOC Specific Details

Boiling Point	Degree Reference 159 median
MS-Links	MS-MS Spectrum 17719 MS-MS Spectrum 11045 MS-MS Spectrum 11047 MS-MS Spectrum 11046 MS-MS Spectrum 17717 MS-MS Spectrum 17718
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006396

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Citrobacter Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Xanthomonas Campestris n/a NA Weise et al. 2012 Eukaryota Tuber Melanosporum T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara 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 Pichia Kluyveri NA NA Mozūraitis et al. 2022 Eukaryota Pichia Membranifaciens 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 Saccharomyces Cerevisiae NA NA Zhao et al. 2022 Eukaryota Wickerhamomyces Anomalus NA NA Zhao et al. 2022

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Citrobacter Sp. n/a n/a no Prokaryota Xanthomonas Campestris NBII Closed airflow-system/GC-MS and PTR-MS no Eukaryota Tuber Melanosporum yes 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 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 Pichia Membranifaciens 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 Schaeffer’s growth (SG) medium HS-SPME-GC/MS no Eukaryota Saccharomyces Cerevisiae synthetic grape juice HS-SPME no Eukaryota Wickerhamomyces Anomalus synthetic grape juice HS-SPME no