Results for:
PubChem ID: 7770

Propyl Butanoate

Mass-Spectra

Compound Details

Synonymous names	Propylester kyseliny maselne propionyl butyrate HUAZGNHGCJGYNP-UHFFFAOYSA-N n-propylbutyrate Propyl butanoate Propyl butyrate n-Propanol butyrate Butyric acid propyl n-Propyl butyrate AC1L1PIC Propyl n-butyrate Butyric Acid Propyl Ester Butanoic acid, propylester 1-Propyl butyrate n-Propyl-n-butanoate n-Propyl n-butyrate Propyl ester of butanoic acid Butyric acid, propyl ester ACMC-1BUX3 Butanoic acid, propyl ester 2-methyl-ethyl butyrate Propylester kyseliny maselne [Czech] Propyl butyrate (natural) KSC489Q2T Propyl butyrate, >=98% N-butyric aicd n-propyl ester CTK3I9829 n-Butyric acid n-propyl ester B0764 Propyl butyrate, 99% SCHEMBL125157 CW590750SQ STL453683 LS-3069 LP066110 OR025506 Jsp000529 SBB061105 DTXSID6059318 UNII-CW590750SQ ZINC2041123 CHEBI:89719 TRA0050083 ANW-15261 KB-59996 CJ-07663 CJ-32509 MFCD00009396 ZINC02041123 LMFA07010417 TR-001177 RTR-001177 ST51047171 AI3-06123 J-001469 AKOS008947738 FEMA No. 2934 FT-0631587 BRN 1745552 Propyl butyrate, natural, >=95%, FG 105-66-8 I14-106372 MCULE-7673125406 EINECS 203-320-0 WE(3:0/4:0) MolPort-003-927-477 4-02-00-00788 (Beilstein Handbook Reference)
Microorganism:	Yes
IUPAC name	propyl butanoate
SMILES	CCCC(=O)OCCC
Inchi	InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
Formula	C7H14O2
PubChem ID	7770
Molweight	130.187
LogP	1.95
Atoms	23
Bonds	22
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	esters

mVOC Specific Details

MS-Links	MS-MS Spectrum 89838 MS-MS Spectrum 152847 MS-MS Spectrum 152848 MS-MS Spectrum 89840 MS-MS Spectrum 89839 MS-MS Spectrum 152849
1D-NMR-Links	1D NMR Spectrum 4543 1D NMR Spectrum 4425

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Fungi Tuber Simonea None None March et al., 2006 Fungi Tuber Brumale n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Melanosporum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Mesentericum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Miesentericum None None March et al., 2006 Fungi Tuber Rufum n/a Ayme Truffe of Grignan, 26230 France March et al., 2006 Fungi Tuber Simonea n/a Ayme Truffe of Grignan, 26230 France March et al., 2006

Method

Kingdom Species Growth Medium Applied Method Verification Fungi Tuber Simonea None Pressure balanced head-space sampling and GC/TOF-MS No Fungi Tuber Brumale n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Melanosporum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Mesentericum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Miesentericum None Pressure balanced head-space sampling and GC/TOF-MS No Fungi Tuber Rufum n/a Pressure balanced head-space sampling and GC/TOF-MS Fungi Tuber Simonea n/a Pressure balanced head-space sampling and GC/TOF-MS