1.0 2010-04-08 22:13:09 UTC 2015-07-20 23:39:32 UTC FDB017542 Isobornyl propionate Flavouring agent 1-aminocyclohexanecarboxylic Acid 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl propanoate, exo- 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl propionate 2-Bornyl propionate, exo- 2-Camphanyl propionate, exo- exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl propionate Exo-1,7,7-trimethylbicyclo(2.2.1)heptan-2-yl propanoate Exo-2-bornyl propionate Exo-2-camphanyl propionate FEMA 2163 Iso-bornyl n-propionate Isoborneol, propionate Isoborneol, propionate (8CI) Isobornyl propanoate Isobornyl propionate So-bornyl n-propionate C13H22O2 210.3126 210.161979948 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl propanoate 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl propanoate 2756-56-1 CCC(=O)OC1CC2CCC1(C)C2(C)C InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3 FAFMZORPAAGQFV-UHFFFAOYSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Bicyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homopolycyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Bicyclic monoterpenoid Bornane monoterpenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 3.93 ALOGPS logs -3.71 ALOGPS solubility 4.11e-02 g/l ALOGPS logp 3.13 ChemAxon pka_strongest_basic -7 ChemAxon iupac 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl propanoate ChemAxon average_mass 210.3126 ChemAxon mono_mass 210.161979948 ChemAxon smiles CCC(=O)OC1CC2CCC1(C)C2(C)C ChemAxon formula C13H22O2 ChemAxon inchi InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3 ChemAxon inchikey FAFMZORPAAGQFV-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 59.09 ChemAxon polarizability 24.69 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 528 Specdb::CMs 22643 Specdb::CMs 28515 Specdb::CMs 101943 Specdb::CMs 131974 Specdb::CMs 139708 Specdb::MsMs 64677 Specdb::MsMs 64678 Specdb::MsMs 64679 Specdb::MsMs 121908 Specdb::MsMs 121909 Specdb::MsMs 121910 Specdb::MsMs 2833527 Specdb::MsMs 2833528 Specdb::MsMs 2833529 Specdb::MsMs 2849542 Specdb::MsMs 2849543 Specdb::MsMs 2849544 HMDB38249 #<Reference:0x000055ce3180f5e8> camphor fruit lavender pine pungent turpentine woody