1.0 2010-04-08 22:11:30 UTC 2015-07-20 23:11:54 UTC FDB014847 Clarycet Fragrance ingredient with a fruity aroma Clarycet C11H20O3 200.2747 200.141244506 4-methyl-2-propyloxan-4-yl acetate 4-methyl-2-propyloxan-4-yl acetate 131766-73-9 CCCC1CC(C)(CCO1)OC(C)=O InChI=1S/C11H20O3/c1-4-5-10-8-11(3,6-7-13-10)14-9(2)12/h10H,4-8H2,1-3H3 GURYYNWDVKXZAT-UHFFFAOYSA-N belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. Oxanes Organic compounds Organoheterocyclic compounds Oxanes Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Dialkyl ethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane logp 2.59 ALOGPS logs -2.63 ALOGPS solubility 4.66e-01 g/l ALOGPS logp 1.55 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 4-methyl-2-propyloxan-4-yl acetate ChemAxon average_mass 200.2747 ChemAxon mono_mass 200.141244506 ChemAxon smiles CCCC1CC(C)(CCO1)OC(C)=O ChemAxon formula C11H20O3 ChemAxon inchi InChI=1S/C11H20O3/c1-4-5-10-8-11(3,6-7-13-10)14-9(2)12/h10H,4-8H2,1-3H3 ChemAxon inchikey GURYYNWDVKXZAT-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 54.07 ChemAxon polarizability 22.87 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15206 Specdb::CMs 137150 Specdb::CMs 144884 Specdb::MsMs 94221 Specdb::MsMs 94222 Specdb::MsMs 94223 Specdb::MsMs 158226 Specdb::MsMs 158227 Specdb::MsMs 158228 Specdb::MsMs 2358747 Specdb::MsMs 2358748 Specdb::MsMs 2358749 Specdb::MsMs 2603348 Specdb::MsMs 2603349 Specdb::MsMs 2603350 HMDB36029 #<Reference:0x000055ce32b4d010> clary floral fruity herbal saffron sage tea