Results for:
PubChem ID: 7983

Butyl Butanoate

Mass-Spectra

Compound Details

Synonymous names	Butyl butyrate 109-21-7 Butyl butanoate n-Butyl butyrate Butanoic acid, butyl ester n-Butyl butanoate Butyric Acid Butyl Ester 1-Butyl butyrate Butyl butylate N-BUTYL N-BUTYRATE Butyric acid, butyl ester Butyl n-butyrate Butylbutyrate n-Butyl n-butanoate FEMA No. 2186 butryl butyrate Butyric acid n-butyl ester NSC 8458 Butyl ester of butanoic acid n-Butyric acid n-butyl ester 1BHV00T1M4 NSC-8458 WE(4:0/4:0) Butyl butyrate (natural) CCRIS 6551 butanoic acid butyl ester n-BUTYL-n-BUTYRATE EINECS 203-656-8 BRN 1747101 UNII-1BHV00T1M4 AI3-06125 Butyl butyrate, 98% N-BUTYL-BUTYRATE n-butyric n-butyl ester Butyric acid-butyl ester BUTYL BUTYRATE [FCC] 4-02-00-00789 (Beilstein Handbook Reference) WLN: 4OV3 BUTYL BUTYRATE [FHFI] SCHEMBL113994 DTXSID7041702 CHEBI:87429 FEMA 2186 N-BUTYL N-BUTYRATE [MI] NSC8458 Butyl butyrate, analytical standard LMFA07010418 MFCD00009450 Butyl butyrate, >=98%, FCC, FG AKOS009165857 MCULE-3979612740 LS-13508 DB-003606 B0757 Butyl butyrate, natural, >=98%, FCC, FG NS00012028 EN300-52980 A801979 J-002246 J-519960 Q2212471
Microorganism:	Yes
IUPAC name	butyl butanoate
SMILES	CCCCOC(=O)CCC
Inchi	InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
Formula	C8H16O2
PubChem ID	7983
Molweight	144.21
LogP	2.2
Atoms	10
Bonds	6
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	87429
Supernatural-ID	SN0440576

mVOC Specific Details

Boiling Point	Degree Reference 166 median
MS-Links	MS-MS Spectrum 127316 MS-MS Spectrum 127314 MS-MS Spectrum 69113 MS-MS Spectrum 69112 MS-MS Spectrum 69111 MS-MS Spectrum 127315
1D-NMR-Links	1D NMR Spectrum 4549 1D NMR Spectrum 4431
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001824 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002547 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005924 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006497

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Staphylococcus Aureus n/a NA Hettinga et al. 2008 Prokaryota Streptococcus Uberis milk of cows Hettinga et al. 2008 Prokaryota Staphylococcus Aureus National collection of type cultures (NCTC) UK Tait et al. 2014 Eukaryota Metschnikowia Lopburiensis NA NA Ljunggren et al. 2019 Eukaryota Metschnikowia Pulcherrima NA NA Ljunggren et al. 2019

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Staphylococcus Aureus Milk HS-SPME/GC-MS no Prokaryota Streptococcus Uberis GCMS DSQ no Prokaryota Staphylococcus Aureus milk samples GC-MS(BPX-5) no Eukaryota Metschnikowia Lopburiensis liquid YPD medium GC-MS no Eukaryota Metschnikowia Pulcherrima liquid YPD medium GC-MS no