1.0 2010-04-08 22:05:19 UTC 2025-11-18 22:36:16 UTC FDB002289 Linalyl propionate Found in lavender and sage oils in an enantiomeric form. It is used in perfumery and food flavouring. (1)-1,5-Dimethyl-1-vinylhex-4-enyl propionate 1,5-Dimethyl-1-vinyl-4-hexenyl propionate 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-propanoate 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate (7CI,8CI) 3,7-Dimethyl-1,6-octadien-3-ol propanoate 3,7-Dimethyl-1,6-octadien-3-yl propanoate 3,7-Dimethyl-1,6-octadien-3-yl propionate FEMA 2645 Linalool propionate Linalyl n-propionate Linalyl propanoate Linalyl propionate Propionic acid, linalyl ester Propionic acid, linalyl ester (6CI) C13H22O2 210.3126 210.161979948 3,7-dimethylocta-1,6-dien-3-yl propanoate linalool propionate 144-39-8 CCC(=O)OC(C)(CCC=C(C)C)C=C InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3 WAQIIHCCEMGYKP-UHFFFAOYSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Acyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Acyclic monoterpenoid Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Liquid logp 4.52 ALOGPS logs -3.79 ALOGPS solubility 3.40e-02 g/l ALOGPS logp 3.79 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3,7-dimethylocta-1,6-dien-3-yl propanoate ChemAxon average_mass 210.3126 ChemAxon mono_mass 210.161979948 ChemAxon smiles CCC(=O)OC(C)(CCC=C(C)C)C=C ChemAxon formula C13H22O2 ChemAxon inchi InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3 ChemAxon inchikey WAQIIHCCEMGYKP-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 63.98 ChemAxon polarizability 25.26 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 64569 Specdb::MsMs 64570 Specdb::MsMs 64571 Specdb::MsMs 121758 Specdb::MsMs 121759 Specdb::MsMs 121760 Specdb::MsMs 2820138 Specdb::MsMs 2820139 Specdb::MsMs 2820140 Specdb::MsMs 2889637 Specdb::MsMs 2889638 Specdb::MsMs 2889639 Specdb::CMs 18050 Specdb::CMs 28516 Specdb::CMs 100545 Specdb::CMs 163809 Specdb::MsIr 3925 Specdb::MsIr 3926 HMDB30425 #<Reference:0x000055ce30b54498> Ginger Type 1 specific Zingiber officinale 94328 Herbs and Spices Unknown generic bergamot fresh lily rose rum woody