Results for:
PubChem ID: 12297

Hexan-2-ol

Mass-Spectra

Compound Details

Synonymous names	2-HEXANOL hexan-2-ol 626-93-7 2-Hydroxyhexane 2-Hexyl Alcohol (+/-)-2-Hexanol Butyl methyl carbinol n-C4H9CH(OH)CH3 9CDT0V6T4P 54972-97-3 CHEBI:88370 Methylamyl alcohol NSC-3706 MFCD00004585 2-Hexanol, (R)- 2-Hexanol, (S)- 69203-06-1 sec-Hexanol s-(+)-2-hexanol Pentanol, methyl- n-Butylmethylcarbinol 1-Pentanol, methyl- NSC 3706 EINECS 210-971-4 BRN 1718996 2-aHexanol n-Hexan-2-ol Hexanol-(2) (RS)-2-hexanol 2-Hexanol, 99% METHYLBUTYLCARBINOL Hexan-2-ol; 2-Hexanol DL-HEXAN-2-OL UNII-9CDT0V6T4P 2-Hexanol, >=98% SCHEMBL15074 37769-60-1 4-01-00-01708 (Beilstein Handbook Reference) CHEMBL45425 1-PENTANOL , METHYL- 2-Hexanol, analytical standard 2-Hexanol, (.+/-.)- DTXSID30893088 NSC3706 LMFA05000467 AKOS009156480 (+/-)-1-METHYL-1-PENTANOL MCULE-6558228722 BS-22913 DB-016694 DB-323114 H0131 NS00012563 EN300-107421 Q77003 20281-86-1
Microorganism:	Yes
IUPAC name	hexan-2-ol
SMILES	CCCCC(C)O
Inchi	InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3
Formula	C6H14O
PubChem ID	12297
Molweight	102.17
LogP	1.8
Atoms	7
Bonds	3
H-bond Acceptor	1
H-bond Donor	1
Chemical Classification	alcohols
CHEBI-ID	88370
Supernatural-ID	SN0310489

mVOC Specific Details

MS-Links	MS-MS Spectrum 65723 MS-MS Spectrum 65721 MS-MS Spectrum 123158 MS-MS Spectrum 123156 MS-MS Spectrum 123157 MS-MS Spectrum 65722
1D-NMR-Links	1D NMR Spectrum 3937 1D NMR Spectrum 4217
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000282 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002129 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005675 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006096 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006848 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008205

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference 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 Eukaryota Aspergillus Clavatus NA Seifert and King 1982 Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022 Lactobacillus Plantarum Zhang et al. 2023 Staphylococcus Aureus Wang et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification 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 Eukaryota Aspergillus Clavatus 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 Lactobacillus Plantarum Habanero pepper GC–IMS no Staphylococcus Aureus raw Shiyang chicken HS-GC-IMS/HS-SPME-GC-MS no