Results for:
PubChem ID: 10976

Heptan-2-ol

Mass-Spectra

Compound Details

Synonymous names	Methylpentylcarbinol Amylmethylcarbinol CETWDUZRCINIHU-UHFFFAOYSA-N Methyl pentyl carbinol Amyl methyl carbinol sec-Heptanol Methyl amyl carbinol 2-Hydroxyheptane 1-Methylhexanol s-Heptyl alcohol AC1L1WCW 2-HEPTANOL Heptanol-2 2 Heptanol 2-Heptyl alcohol ACMC-20apgw PubChem3094 2-Heptanol, analytical standard ACMC-1AN3H AC1Q76O0 KSC184S5D Heptan-2-ol NSC2220 SCHEMBL22896 CTK0I4951 Heptyl alcohol, sec- CHEMBL449522 WLN: QY5&1 NSC88869 OR10120 RL04027 STR03657 n-Heptan-2-ol NSC 2220 CH3(CH2)4CHOHCH3 NSC-2220 DTXSID1047158 LS-2782 2-Heptanol (natural) LP083967 AK106236 CHEBI:88815 A832694 A832695 TRA0046355 NSC-88869 ANW-32046 SC-81258 AN-21354 2-Heptanol, >=97% TRA0000034 DSSTox_GSID_47158 MFCD00004587 2-Heptanol, 98% DSSTox_CID_27158 ACN-S002393 LMFA05000615 DSSTox_RID_82159 AI3-11263 RT-000373 KB-171972 AKOS009156443 J-509556 I14-4186 I14-4185 S14-1137 BRN 1719088 FT-0612483 FT-0605316 FT-0605144 FEMA No. 3288 I14-10602 Tox21_302517 543-49-7 2-Heptanol, >=97%, FG NCGC00256893-01 2-Heptanol, (R)- CAS-543-49-7 EINECS 208-844-3 52390-72-4 28929-85-3 (+/-)-2-Heptanol MolPort-001-759-307 2-Heptanol, purum, >=99.0% (GC) 3-01-00-01685 (Beilstein Handbook Reference) InChI=1/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H
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	116.204
LogP	2.11
Atoms	24
Bonds	23
H-bond Acceptor	1
H-bond Donor	1
Chemical Classification	Alcohol alcohols

mVOC Specific Details

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

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Collimonas Fungivorans Ter331 n/a Garbeva et al., 2013 Bacteria Collimonas Pratensis Ter91 n/a Garbeva et al., 2013 Bacteria Leuconostoc Citreum CIRM1455 na goat cheese whey Pogačić et al., 2016 Bacteria Paenibacillus Polymyxa Sb3-1 collection TU Graz Rybakova et al. 2017 Bacteria Paenibacillus Sp. P4 na rhizosphere of Marram grass in sandy dune soils, Netherlands Garbeva et al., 2014 Bacteria Pedobacter Sp. V48 na rhizosphere of Marram grass in sandy dune soils, Netherlands Garbeva et al., 2014 Bacteria Serratia Plymuthica PRI-2C na maize rhizosphere, Netherlands Garbeva et al., 2014 Fungi Aspergillus Flavus NRRL 18543 n/a Beck et al., 2012 Fungi Aspergillus Flavus NRRL 25347 n/a Beck et al., 2012 Fungi Aspergillus Niger NRRL 326 n/a Beck et al., 2012 Fungi Aspergillus Parasiticus NRRL 5862 n/a Beck et al., 2012 Fungi Penicillium Glabrum NRRL 766 n/a Beck et al., 2012 Fungi Phoma Sp. GS8-3 na na Naznin et al., 2014 Fungi Rhizopus Stolonifer NRRL 54667 n/a Beck et al., 2012

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Collimonas Fungivorans Ter331 sand supplemented with artificial root exudates Headspace trapping/GC-MS Bacteria Collimonas Pratensis Ter91 sand supplemented with artificial root exudates Headspace trapping/GC-MS Bacteria Leuconostoc Citreum CIRM1455 curd-based broth medium GC/MS Yes Bacteria Paenibacillus Polymyxa Sb3-1 GC-MS / SPME no Bacteria Paenibacillus Sp. P4 sand containing artificial root exudates GC/MS No Bacteria Pedobacter Sp. V48 sand containing artificial root exudates GC/MS No Bacteria Serratia Plymuthica PRI-2C sand containing artificial root exudates GC/MS No Fungi Aspergillus Flavus NRRL 18543 potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS Fungi Aspergillus Flavus NRRL 25347 potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS Fungi Aspergillus Niger NRRL 326 potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS Fungi Aspergillus Parasiticus NRRL 5862 potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS Fungi Penicillium Glabrum NRRL 766 potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS Fungi Phoma Sp. GS8-3 na SPME-GC/MS No Fungi Rhizopus Stolonifer NRRL 54667 potato dextrose agar and Polyunsaturated Fatty Acids SPME/ GC-MS