Results for:
PubChem ID: 10886

Pentyl Hexanoate

Mass-Spectra

Compound Details

Synonymous names	PENTYL HEXANOATE Amyl hexanoate 540-07-8 Amyl caproate n-Amyl caproate Hexanoic acid, pentyl ester Amyl capronate Pentyl caproate Amyl hexoate valeryl hexanoate Hexanoic Acid Pentyl Ester FEMA No. 2074 n-Caproic acid n-amyl ester NSC 46119 n-Amyl n-hexanoate Pentyl ester hexanoic acid 5M61M1AL1H DTXSID0047581 NSC-46119 WE(5:0/6:0) Amyl hexanoate (natural) EINECS 208-732-4 BRN 1760251 UNII-5M61M1AL1H AI3-06030 Hexanoic Acid Amyl Ester AMYL HEXANOATE [FHFI] N-AMYL CAPROATE [MI] SCHEMBL333234 Amyl hexanoate, >=98%, FG CHEMBL3187784 DTXCID8027581 FEMA 2074 CHEBI:179383 Amyl hexanoate, analytical standard NSC46119 NSC53794 Tox21_302698 LMFA07010437 MFCD00027281 NSC-53794 AKOS024319273 MCULE-4135523920 NCGC00256827-01 CAS-540-07-8 DB-052452 CS-0362574 H0106 NS00011971 Q7165332
Microorganism:	Yes
IUPAC name	pentyl hexanoate
SMILES	CCCCCC(=O)OCCCCC
Inchi	InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3
Formula	C11H22O2
PubChem ID	10886
Molweight	186.29
LogP	3.8
Atoms	13
Bonds	9
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	179383
Supernatural-ID	SN0417845

mVOC Specific Details

MS-Links	MS-MS Spectrum 123696 MS-MS Spectrum 53929 MS-MS Spectrum 123698 MS-MS Spectrum 53930 MS-MS Spectrum 123697 MS-MS Spectrum 53928
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006990

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Candida Sake King George Island, South Shetland Islands, Antarctica Arrarte et al. 2017 Eukaryota Aspergillus Flavus n/a NA Beck et al. 2012 Eukaryota Aspergillus Parasiticus n/a NA Beck et al. 2012 Eukaryota Aspergillus Niger n/a NA Beck et al. 2012 Eukaryota Penicillium Glabrum n/a NA Beck et al. 2012 Eukaryota Rhizopus Stolonifer n/a NA Beck et al. 2012 Eukaryota Wickerhamomyces Anomalus NA NA Shi et al. 2022 Saccharomyces Cerevisiae Peng et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Candida Sake Yeast Nitrogen base with 1% pectin SPME / GCMS no Eukaryota Aspergillus Flavus potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Aspergillus Parasiticus potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Aspergillus Niger potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Penicillium Glabrum potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Rhizopus Stolonifer potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS no Eukaryota Wickerhamomyces Anomalus medium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l) SPME with GC-MS no Eukaryota Wickerhamomyces Anomalus solid-state fermentation starter culture Daqu SPME coupled with GC-MS no Saccharomyces Cerevisiae sea buckthorn juice HS-SPME-GC–MS/UHPLC–MS no