Results for:
PubChem ID: 11262

3-methylpentan-2-one

Mass-Spectra

Compound Details

Synonymous names	methylethylacetone UIHCLUNTQKBZGK-UHFFFAOYSA-N UIHCLUNTQKBZGK-UHFFFAOYSA- sec-Butyl methyl ketone Methyl 1-methylpropyl ketone Methyl sec-butyl ketone AC1L1WZ8 ACMC-1ALW4 U423 sec-C4H9COCH3 AC1Q2S11 SCHEMBL93407 M0388 CTK5A5344 NSC66492 VZ35134 3-Methyl-2-pentanone 3-METHYLPENTAN-2-ONE OR129631 OR012181 DTXSID4021634 CHEMBL3182903 DSSTox_CID_1634 sec-Butyl methyl ketone; Methyl sec-butyl ketone DSSTox_GSID_21634 AN-45962 NSC-66492 NSC 66492 AB1006113 ANW-32540 TRA0079860 3-methyl-pentan-2-one MFCD00009336 LMFA12000027 DSSTox_RID_76248 DB-052938 TC-121285 LS-195259 KB-183533 I14-6309 AKOS009031605 2-Pentanone, 3-methyl- FT-0616074 Tox21_200530 565-61-7 3-Methyl-2-pentanone, 99% NCGC00258084-01 NCGC00248679-01 CAS-565-61-7 EINECS 209-282-1 MolPort-001-793-386 InChI=1/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3
Microorganism:	Yes
IUPAC name	3-methylpentan-2-one
SMILES	CCC(C)C(=O)C
Inchi	InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3
Formula	C6H12O
PubChem ID	11262
Molweight	100.161
LogP	1.79
Atoms	19
Bonds	18
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Ketones Ketone

mVOC Specific Details

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Collimonas Pratensis Ter91 n/a Garbeva et al., 2013 Bacteria Collimonas Pratensis TER91 na rhizosphere of Marram grass in sandy dune soils, Netherlands Garbeva et al., 2014 Bacteria Thermoactinomyces Vulgaris DSM 43016 na soil Wilkins, 1996 Fungi Aspergillus Versicolor Sunesson et al. 1996 Fungi Aspergillus Versicolor Tiraboschi na damp indoor environments, food products Sunesson et al., 1995 Bacteria Actinomycetes Spp. n/a Schulz and Dickschat, 2007

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Collimonas Pratensis Ter91 Headspace trapping/GC-MS Bacteria Collimonas Pratensis TER91 sand containing artificial root exudates GC/MS No Bacteria Thermoactinomyces Vulgaris DSM 43016 Nutrient agar CM3 GC/MS Fungi Aspergillus Versicolor no Fungi Aspergillus Versicolor Tiraboschi DG18 GC/MS Bacteria Actinomycetes Spp. n/a n/a