Results for:
PubChem ID: 22556

Dodecan-2-one

Mass-Spectra

Compound Details

Synonymous names	2-Dodecanone Dodecan-2-one 6175-49-1 Decyl methyl ketone METHYL DECYL KETONE Dodecanone-(2) MFCD00015064 P5CN8YSV3P CHEBI:89284 EINECS 228-222-5 UNII-P5CN8YSV3P n-DECYL METHYL KETONE AI3-28136 2-Dodecanone, 95% SCHEMBL103221 CHEMBL2228472 DTXSID4022236 2-Dodecanone, >=97.0% (GC) LMFA12000163 AKOS009158766 MCULE-3936750617 NCGC00166062-01 AS-14475 2-Dodecanone, analytical reference material CS-0314654 D1862 NS00022516 D89937 A833406 Q27161470
Microorganism:	Yes
IUPAC name	dodecan-2-one
SMILES	CCCCCCCCCCC(=O)C
Inchi	InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3
Formula	C12H24O
PubChem ID	22556
Molweight	184.32
LogP	4.6
Atoms	13
Bonds	9
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	aliphatic ketones ketones
CHEBI-ID	89284
Supernatural-ID	SN0214124

mVOC Specific Details

Boiling Point	Degree Reference 245 median
MS-Links	MS-MS Spectrum 15010 MS-MS Spectrum 8338 MS-MS Spectrum 8336 MS-MS Spectrum 8337 MS-MS Spectrum 15009 MS-MS Spectrum 15008
1D-NMR-Links	1D NMR Spectrum 4209 1D NMR Spectrum 3930
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007052

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Escherichia Coli NA NA Fitzgerald et al. 2021 Prokaryota Escherichia Coli NA NA Hewett et al. 2020 Prokaryota Pseudomonas Aeruginosa NA NA Bean et al. 2012 Prokaryota Pseudomonas Aeruginosa NA NA Davis et al. 2020 Prokaryota Bacillus Sp. antifungal activity against Fusarium solani Rhizosphere soil of avocado Guevara-Avendaño et al. 2019 Prokaryota Bacillus Amyloliquefaciens Inhibition of fusarium oxysporum f.sp. Niveum rhizosphere soils of watermelon plants Wu et al. 2019 Prokaryota Pseudomonas Sp. antifungal activity against Thielaviopsis ethacetica mycelial growth Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil Freitas et al. 2022 Prokaryota Staphylococcus Epidermidis American Type Culture Collection Jenkins and Bean 2020 Prokaryota Burkholderia Ambifaria NA Groenhagen et al. 2013 Prokaryota Serratia Plymuthica n/a NA Weise et al. 2014 Prokaryota Serratia Proteamaculans n/a NA Weise et al. 2014 Prokaryota Serratia Marcescens n/a NA Weise et al. 2014 Prokaryota Serratia Sp. n/a NA Bruce et al. 2004 Prokaryota Serratia Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Cytophaga-Flavobacterium-Bacteroides (CFB) n/a NA Schulz and Dickschat 2007 Prokaryota Cytophaga-Flavobacterium-Bacteroides n/a NA Dickschat et al. 2005_3 Prokaryota Xanthomonas Campestris n/a NA Weise et al. 2012 Prokaryota Achromobacter Sp. NA NA Almeida et al. 2022 Prokaryota Enterobacter Sp. NA NA Almeida et al. 2022 Prokaryota Bacillus Velezensis NA NA Toral et al. 2021

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Escherichia Coli TSB SPME/GC-MS no Prokaryota Escherichia Coli LB SPME/GC-MS no Prokaryota Pseudomonas Aeruginosa lysogeny broth SPME/GCxGC-MS no Prokaryota Pseudomonas Aeruginosa LB broth SPME/GCxGC-MS no Prokaryota Bacillus Sp. LB agar SPME-GC-MS no Prokaryota Bacillus Amyloliquefaciens modified Murashige-Skoog (MS) culture medium SPME-GC-MS no Prokaryota Pseudomonas Sp. LB media, DYGS media HS-SPME/GC-MS no Prokaryota Pseudomonas Sp. LB media HS-SPME/GC-MS no Prokaryota Staphylococcus Epidermidis BHI media, MHB media HS-SPME/GC×GC-TOFMS no Prokaryota Burkholderia Ambifaria Luria-Bertani medium, Malt Extract yes Prokaryota Serratia Plymuthica NBII Headspace trapping/ GC-MS no Prokaryota Serratia Proteamaculans NBII Headspace trapping/ GC-MS no Prokaryota Serratia Marcescens NBII Headspace trapping/ GC-MS no Prokaryota Serratia Sp. n/a n/a no Prokaryota Cytophaga-Flavobacterium-Bacteroides (CFB) n/a n/a no Prokaryota Cytophaga-Flavobacterium-Bacteroides n/a n/a no Prokaryota Xanthomonas Campestris NBII Closed airflow-system/GC-MS and PTR-MS no Prokaryota Achromobacter Sp. LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol) SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation) no Prokaryota Enterobacter Sp. LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol) SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation) no Prokaryota Bacillus Velezensis tryptic soy agar (TSA, Panreac Applichem) medium HS-SPME-GC/MS no