Results for:
PubChem ID: 22386

Pentan-2-ol

Mass-Spectra

Compound Details

Synonymous names	2-PENTANOL Pentan-2-ol 6032-29-7 Methylpropylcarbinol sec-Amyl alcohol sec-Pentanol sec-Pentyl alcohol 2-Pentyl alcohol 2-Hydroxypentane 1-Methyl-1-butanol Pentanol-2 Methyl propyl carbinol (S)-(+)-2-Pentanol alpha-Methylbutanol 1-Methylbutanol Methylbutan-1-ol (+/-)-2-Pentanol Isoamyl alcohol, secondary sec-n-Amyl alcohol FEMA No. 3316 Methyl butanol n-C3H7CH(OH)CH3 Isoamyl alcohol (primary/secondary 26635-63-2 CHEBI:77518 s-(+)-2-pentanol Pentanol, sec- 51000-78-3 04G7050365 Butanol, methyl- (s)-(-)-2-pentanol EINECS 227-907-6 BRN 1718819 methylbutanol methyl-butanol AI3-37255 MFCD00065952 MFCD00065953 DL-2-Pentanol racemic 2-pentanol EINECS 256-810-1 MFCD00004579 UNII-04G7050365 (?)-2-Pentanol 2-Pentanol, 98% 2-PENTANOL [MI] EC 700-266-4 Pentan-2-ol; 2-Pentanol (R)-(?)-2-Pentanol 2-PENTANOL [FHFI] 4-01-00-01656 (Beilstein Handbook Reference) 50858-14-5 Butyl, 1-hydroxy-1-methyl- CHEMBL45065 2-Pentanol, analytical standard 2-Pentanol, >=98%, FG DTXSID3052721 FEMA 3316 DTXSID401311836 BBL011460 STL146572 AKOS000249483 AKOS022060646 MCULE-8205906299 ( inverted exclamation markA)-2-Pentanol SY045083 DB-016766 A5643 NS00007533 P0056 EN300-93564 (+/-)-2-Pentanol, purum, >=98.0% (GC) Q210479 F8881-2971 InChI=1/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H 33968-72-8
Microorganism:	Yes
IUPAC name	pentan-2-ol
SMILES	CCCC(C)O
Inchi	InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
Formula	C5H12O
PubChem ID	22386
Molweight	88.15
LogP	1.2
Atoms	6
Bonds	2
H-bond Acceptor	1
H-bond Donor	1
Chemical Classification	alcohols
CHEBI-ID	77518
Supernatural-ID	SN0179022

mVOC Specific Details

Boiling Point	Degree Reference 119 median
MS-Links	MS-MS Spectrum 83733 MS-MS Spectrum 145409 MS-MS Spectrum 145408 MS-MS Spectrum 145407 MS-MS Spectrum 83735 MS-MS Spectrum 83734
1D-NMR-Links	1D NMR Spectrum 4204 1D NMR Spectrum 3925
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000278 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001814 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005669 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006552

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Pseudomonas Aeruginosa NA NA Fitzgerald et al. 2021 Prokaryota Staphylococcus Aureus NA NA Fitzgerald et al. 2021 Eukaryota Aspergillus Versicolor wild strains Schleibinger et al. 2005 Eukaryota Chaetomium Globosum wild strains Schleibinger et al. 2005 Eukaryota Eurotium Amstelodami wild strains Schleibinger et al. 2005 Eukaryota Penicillium Brevicompactum wild strains Schleibinger et al. 2005 Prokaryota Klebsiella Pneumoniae NA Rees et al. 2017 Prokaryota Escherichia Coli Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH Fitzgerald et al. 2020 Prokaryota Staphylococcus Epidermidis strains were provided by Prof. O'Gara at NUI Galway Fitzgerald et al. 2020 Prokaryota Collimonas Fungivorans n/a NA Garbeva et al. 2014 Eukaryota Aspergillus Niger n/a NA Meruva et al. 2004 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 Prokaryota Collimonas Pratensis n/a NA Garbeva et al. 2014 Prokaryota Leuconostoc Citreum na goat cheese Pogačić et al. 2016

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Pseudomonas Aeruginosa TSB SPME/GC-MS no Prokaryota Pseudomonas Aeruginosa BHI SPME/GC-MS no Prokaryota Pseudomonas Aeruginosa LB SPME/GC-MS no Prokaryota Staphylococcus Aureus BHI SPME/GC-MS no Prokaryota Staphylococcus Aureus TSB SPME/GC-MS no Eukaryota Aspergillus Versicolor ingrain (woodchip) SIM/GCMS / Tenax no Eukaryota Chaetomium Globosum ingrain (woodchip) SIM/GCMS / Tenax no Eukaryota Eurotium Amstelodami ingrain (woodchip) SIM/GCMS / Tenax no Eukaryota Penicillium Brevicompactum ingrain (woodchip) SIM/GCMS / Tenax no Prokaryota Klebsiella Pneumoniae LB SPME / GCxGC-TOFMS no Prokaryota Escherichia Coli TSB media HS-SPME/GC-MS no Prokaryota Staphylococcus Epidermidis TSB media HS-SPME/GC-MS no Prokaryota Collimonas Fungivorans sand supplemented with artificial root exudates Headspace trapping/GC-MS no Eukaryota Aspergillus Niger Tobacco products. Closedloop stripping analysis and GC/TOF-MS. 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 Prokaryota Collimonas Pratensis sand supplemented with artificial root exudates Headspace trapping/GC-MS no Prokaryota Leuconostoc Citreum curd-based broth medium GC/MS yes