Results for:
PubChem ID: 11428

Pentan-3-ol

Mass-Spectra

Compound Details

Synonymous names	3-PENTANOL 584-02-1 Pentan-3-ol Diethyl carbinol Pentanol-3 3-Pentyl alcohol 1-Ethyl-1-propanol NSC 8654 (C2H5)2CHOH X4ELC182I5 CHEBI:77519 NSC-8654 EINECS 209-526-7 BRN 1730964 UNII-X4ELC182I5 Diethylcarbinol AI3-24335 144032-75-7 3-Pentanol, 98% 3-PENTANOL [MI] 4-01-00-01662 (Beilstein Handbook Reference) CHEMBL47100 QSPL 143 WLN: QY2&2 DTXSID8060400 NSC8654 MFCD00004574 AKOS000248912 HY-W087988 MCULE-5553645045 SB83759 UN 2706 3-Pentanol, purum, >=98.0% (GC) PD158426 CS-0128838 NS00022425 P0057 EN300-108903 G75794 Q590622
Microorganism:	Yes
IUPAC name	pentan-3-ol
SMILES	CCC(CC)O
Inchi	InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
Formula	C5H12O
PubChem ID	11428
Molweight	88.15
LogP	1.2
Atoms	6
Bonds	2
H-bond Acceptor	1
H-bond Donor	1
Chemical Classification	alcohols
CHEBI-ID	77519
Supernatural-ID	SN0012526

mVOC Specific Details

Boiling Point	Degree Reference 116 median
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004283 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005670

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Bacillus Tequilensis antifungal activity against the hyphae growth of Ceratocystis fimbriata rhizosphere soil of a sweet potato variety (Xushu-36) from Xuzhou Academy of Agricultural Sciences in China in 2016 Xu et al. 2021 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 Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Bacillus Tequilensis LB media HS-SPME/GC-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 Lentilactobacillus Buchneri maize silage HS-SPME coupled with GC-TOF MS no Prokaryota Lacticaseibacillus Paracasei maize silage HS-SPME coupled with GC-TOF MS no