Results for:
PubChem ID: 7822

5-methylheptan-3-one

Mass-Spectra

Compound Details

Synonymous names	PSBKJPTZCVYXSD-UHFFFAOYSA-N ethyl amylketone ethyl amyl cetone AC1Q5GYJ AC1L1PMO 2-Methylbutyl ethyl ketone Ethyl 2-methylbutyl ketone Ethyl sec-amyl ketone AC1Q2S8G 7787AB CTK1H0256 M0335 5-Methylheptan-3-one SCHEMBL104058 5-METHYL-3-HEPTANONE ACMC-209le0 3-Methyl-5-heptanone 5-methyl-3-heptanon 5-methyl 3-heptanone OR012085 DTXSID9047047 BBL011426 STL146533 AK113864 NSC100734 LS-74512 DSSTox_GSID_47047 WLN: 2Y1&1V2 5-Methylheptanone-(3) ANW-31990 AN-21340 BB_SC-6894 MFCD00009340 DSSTox_CID_27047 LMFA12000112 DB-052510 TC-120735 ST24033056 NSC-100734 NSC 100734 KB-198031 AKOS000121337 AKOS016843699 3-Heptanone, 5-methyl- FT-0620622 BRN 0506345 Tox21_303912 I14-100699 541-85-5 Ethyl amyl ketone (5-Methyl-3-heptanone) MCULE-8568086135 NCGC00357162-01 CAS-541-85-5 EINECS 208-793-7 57968-70-4 MolPort-003-938-553 5-Methyl-3-heptanone, >=94% (GC) 4-01-00-03344 (Beilstein Handbook Reference) InChI=1/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H
Microorganism:	Yes
IUPAC name	5-methylheptan-3-one
SMILES	CCC(C)CC(=O)CC
Inchi	InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
Formula	C8H16O
PubChem ID	7822
Molweight	128.215
LogP	2.68
Atoms	25
Bonds	24
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Ketones alkenes

mVOC Specific Details

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Fungi Aspergillus Flavus NRRL 18543 n/a Beck et al., 2012 Fungi Aspergillus Flavus NRRL 25347 n/a Beck et al., 2012 Fungi Aspergillus Niger NRRL 326 n/a Beck et al., 2012 Fungi Aspergillus Parasiticus NRRL 5862 n/a Beck et al., 2012 Fungi Penicillium Glabrum NRRL 766 n/a Beck et al., 2012 Fungi Rhizopus Stolonifer NRRL 54667 n/a Beck et al., 2012 Bacteria Bacillus Amyloliquefaciens UCMB5113 na na Asari et al., 2016 Bacteria Ralstonia Solanacearum na na Spraker et al., 2014

Method

Kingdom Species Growth Medium Applied Method Verification Fungi Aspergillus Flavus NRRL 18543 potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS Fungi Aspergillus Flavus NRRL 25347 potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS Fungi Aspergillus Niger NRRL 326 potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS Fungi Aspergillus Parasiticus NRRL 5862 potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS Fungi Penicillium Glabrum NRRL 766 potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS Fungi Rhizopus Stolonifer NRRL 54667 potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS Bacteria Bacillus Amyloliquefaciens UCMB5113 TSA/LBA GC/MS No Bacteria Ralstonia Solanacearum Casamino Acid Peptone Glucose agar SPME-GC/MS No