Results for:
PubChem ID: 7775

2-methylpropyl Hexanoate

Mass-Spectra

Compound Details

Synonymous names	UXUPPWPIGVTVQI-UHFFFAOYSA-N Isobutyl caproate Isobutyl hexanoate 2-METHYLPROPYL HEXANOATE Hexanoic Acid Isobutyl Ester AC1L1PIR ACMC-1BVWK iso-Butyl n-hexanoate hexanoic acid 2-methylpropyl ester Hexanoic acid, isobutyl ester Hexanoic acid,2-methylpropyl ester n-Caproic acid isobutyl ester AC1Q62TM Isobutyl caproate (natural) KSC489Q5L CTK3I9855 Hexanoic acid, 2-methylpropyl ester 2A3X4W9GZ0 SCHEMBL129293 UNII-2A3X4W9GZ0 2-Methyl-1-propyl caproate SBB056802 DTXSID0059322 OR011994 Isobutyl hexanoate, natural, >=95% ZINC2041122 CHEBI:87421 ANW-15277 AN-22392 LS-75328 Isobutyl hexanoate, >=98%, FG CJ-07662 CJ-32508 TRA0044969 C-53694 LMFA07010729 MFCD00048870 TR-001194 ST50981606 RTR-001194 AI3-24254 AKOS015904122 FEMA No. 2202 FT-0627358 I14-17812 105-79-3 MCULE-1038002118 EINECS 203-332-6 MolPort-003-959-972
Microorganism:	Yes
IUPAC name	2-methylpropyl hexanoate
SMILES	CCCCCC(=O)OCC(C)C
Inchi	InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
Formula	C10H20O2
PubChem ID	7775
Molweight	172.268
LogP	3.2
Atoms	32
Bonds	31
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Esters

mVOC Specific Details

MS-Links

MS-MS Spectrum 18139 MS-MS Spectrum 18138 MS-MS Spectrum 11467 MS-MS Spectrum 11466 MS-MS Spectrum 11465 MS-MS Spectrum 18137

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Fungi Candida Sake King George Island, South Shetland Islands, Antarctica Arrarte et al. 2017 Bacteria Clostridium Difficile outbreak 2006 UK Rees et al 2016
Method	Kingdom Species Growth Medium Applied Method Verification Fungi Candida Sake Yeast Nitrogen base with 1% pectin SPME / GCMS no Bacteria Clostridium Difficile brain heart infusion GCxGC-TOF-MS yes