Results for:
PubChem ID: 10976

Heptan-2-ol

Mass-Spectra

Compound Details

Synonymous names	2-HEPTANOL Heptan-2-ol 543-49-7 s-Heptyl alcohol 2-Heptyl alcohol 2-Hydroxyheptane Amyl methyl carbinol Methyl amyl carbinol 1-Methylhexanol Heptanol-2 (+/-)-2-Heptanol FEMA No. 3288 NSC 2220 E12FIG07JK DTXSID1047158 CHEBI:88815 NSC-2220 MFCD00004587 Heptyl alcohol, sec- 2-Heptanol (natural) Amylmethylcarbinol (2S)-2-heptanol EINECS 208-844-3 UNII-E12FIG07JK BRN 1719088 AI3-11263 Methylpentylcarbinol n-Heptan-2-ol Methyl pentyl carbinol 2-Heptanol, 98% DL-HEPTAN-2-OL 2-HEPTANOL [MI] 2-Heptanol, >=97% EC 208-844-3 Heptan-2-ol; 2-Heptanol 2-HEPTANOL [FHFI] CH3(CH2)4CHOHCH3 SCHEMBL22896 3-01-00-01685 (Beilstein Handbook Reference) CHEMBL449522 WLN: QY5&1 2-Heptanol, analytical standard 2-Heptanol, >=97%, FG DTXCID9027158 NSC2220 NSC88869 STR03657 Tox21_302517 LMFA05000615 NSC-88869 AKOS009156443 CS-W016595 HY-W015879 2-Heptanol, purum, >=99.0% (GC) NCGC00256893-01 CAS-543-49-7 PD164986 DB-053595 DB-240192 H0034 NS00007762 E77095 EN300-114485 A830116 A832695 J-509556 Q2720011 InChI=1/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H 52390-72-4
Microorganism:	Yes
IUPAC name	heptan-2-ol
SMILES	CCCCCC(C)O
Inchi	InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
Formula	C7H16O
PubChem ID	10976
Molweight	116.2
LogP	2.3
Atoms	8
Bonds	4
H-bond Acceptor	1
H-bond Donor	1
Chemical Classification	alcohols
CHEBI-ID	88815
Supernatural-ID	SN0043782

mVOC Specific Details

Boiling Point	Degree Reference 158 median
MS-Links	MS-MS Spectrum 10889 MS-MS Spectrum 17563 MS-MS Spectrum 17561 MS-MS Spectrum 17562 MS-MS Spectrum 10890 MS-MS Spectrum 10891
1D-NMR-Links	1D NMR Spectrum 3902 1D NMR Spectrum 4176
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005684 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006105

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Pseudomonas Aeruginosa NA NA Lu et al. 2022 Prokaryota Mycobacterium Bovis NA NA Küntzel et al. 2018 Prokaryota Stenotrophomonas Maltophilia antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants) shoots of tomato plants (Elpida F1, Enza Zaden) López et al. 2021 Prokaryota Arthrobacter Phenanthrenivorans antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants) shoots of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spot López et al. 2021 Eukaryota Tausonia Pullulans inhibitory and promoting effects on the growth of different microorganisms isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China) Niu et al. 2022 Eukaryota Cystofilobasidium Sp. inhibitory and promoting effects on the growth of different microorganisms isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China) Niu et al. 2022 Eukaryota Cystofilobasidium Capitatum inhibitory and promoting effects on the growth of different microorganisms isolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China) Niu et al. 2022 Prokaryota Collimonas Fungivorans n/a NA Garbeva et al. 2014 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 whey Pogačić et al. 2016 Prokaryota Serratia Plymuthica na maize rhizosphere, Netherlands Garbeva et al. 2014 Prokaryota Paenibacillus Sp. na rhizosphere of Marram grass in sandy dune soils, Netherlands Garbeva et al. 2014 Prokaryota Pedobacter Sp. na rhizosphere of Marram grass in sandy dune soils, Netherlands Garbeva et al. 2014 Eukaryota Phoma Sp. na na Naznin et al. 2014 Prokaryota Paenibacillus Polymyxa collection TU Graz Rybakova et al. 2017 Prokaryota Lentilactobacillus Buchneri NA NA Squara et al. 2022 Prokaryota Lacticaseibacillus Paracasei NA NA Squara et al. 2022 Eukaryota Aureobasidium Pullulans NA NA Mozūraitis et al. 2022 Eukaryota Hanseniaspora Uvarum NA NA Mozūraitis et al. 2022 Eukaryota Metschnikowia Pulcherrima NA NA Mozūraitis et al. 2022

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Pseudomonas Aeruginosa TH medium GC-IMS no Prokaryota Mycobacterium Bovis HEYM NTD/GC-MS no Prokaryota Stenotrophomonas Maltophilia TYB media GC-MS no Prokaryota Arthrobacter Phenanthrenivorans TYB media GC-MS no Eukaryota Tausonia Pullulans artificial nectar media GC-MS no Eukaryota Cystofilobasidium Sp. artificial nectar media GC-MS no Eukaryota Cystofilobasidium Capitatum artificial nectar media GC-MS no Prokaryota Collimonas Fungivorans sand supplemented with artificial root exudates Headspace trapping/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 Collimonas Pratensis sand supplemented with artificial root exudates Headspace trapping/GC-MS no Prokaryota Leuconostoc Citreum curd-based broth medium GC/MS yes Prokaryota Serratia Plymuthica sand containing artificial root exudates GC/MS no Prokaryota Paenibacillus Sp. sand containing artificial root exudates GC/MS no Prokaryota Pedobacter Sp. sand containing artificial root exudates GC/MS no Eukaryota Phoma Sp. na SPME-GC/MS no Prokaryota Paenibacillus Polymyxa GC-MS / SPME 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 Eukaryota Aureobasidium Pullulans YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Hanseniaspora Uvarum YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no Eukaryota Metschnikowia Pulcherrima YPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar) SPME-GC-MS no