1.0 2010-04-08 22:08:04 UTC 2025-11-18 23:10:06 UTC FDB008408 7-Hydroxy-3,7-dimethyloctanal Occurs in essential oils Citronellal hydrate FEMA 2583 Hydroxycitronellal Phixia C10H20O2 172.2646 172.146329884 7-hydroxy-3,7-dimethyloctanal hydroxycitronellal 107-75-5 CC(CCCC(C)(C)O)CC=O InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3 WPFVBOQKRVRMJB-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Medium-chain aldehydes Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Tertiary alcohols Alcohol Aliphatic acyclic compound Alpha-hydrogen aldehyde Hydrocarbon derivative Medium-chain aldehyde Organic oxide Tertiary alcohol tertiary alcohol logp 2.50 ALOGPS logs -2.43 ALOGPS solubility 6.39e-01 g/l ALOGPS logp 1.64 ChemAxon pka_strongest_acidic 16.14 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac 7-hydroxy-3,7-dimethyloctanal ChemAxon average_mass 172.2646 ChemAxon mono_mass 172.146329884 ChemAxon smiles CC(CCCC(C)(C)O)CC=O ChemAxon formula C10H20O2 ChemAxon inchi InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3 ChemAxon inchikey WPFVBOQKRVRMJB-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 50.28 ChemAxon polarizability 20.69 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4907 Specdb::MsIr 4908 Specdb::MsIr 4909 Specdb::CMs 18617 Specdb::CMs 29082 Specdb::CMs 42603 Specdb::CMs 100943 Specdb::CMs 155188 Specdb::MsMs 109707 Specdb::MsMs 109708 Specdb::MsMs 109709 Specdb::MsMs 177216 Specdb::MsMs 177217 Specdb::MsMs 177218 Specdb::MsMs 2728039 Specdb::MsMs 2728040 Specdb::MsMs 2728041 Specdb::MsMs 2980499 Specdb::MsMs 2980500 Specdb::MsMs 2980501 HMDB0031739 floral green lily melon sweet tropical waxy