1.0 2010-04-08 22:14:52 UTC 2015-07-21 06:43:43 UTC FDB020212 Ethylene brassylate Component of fragrances for soaps, detergents, food etc. Astratone Emeressence 1150 Ethylene brassylate Ethylene undecane dicarboxylate Musk T Tridecanedioic acid, cyclic ethylene ester C15H26O4 270.3645 270.18310932 1,4-dioxacycloheptadecane-5,17-dione 1,4-dioxacycloheptadecane-5,17-dione 105-95-3 O=C1CCCCCCCCCCCC(=O)OCCO1 InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2 XRHCAGNSDHCHFJ-UHFFFAOYSA-N belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. Macrolides and analogues Organic compounds Phenylpropanoids and polyketides Macrolides and analogues Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Hydrocarbon derivative Lactone Macrolide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Liquid logp 4.25 ALOGPS logs -4.09 ALOGPS solubility 2.20e-02 g/l ALOGPS melting_point Mp 0-7° logp 3.72 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 1,4-dioxacycloheptadecane-5,17-dione ChemAxon average_mass 270.3645 ChemAxon mono_mass 270.18310932 ChemAxon smiles O=C1CCCCCCCCCCCC(=O)OCCO1 ChemAxon formula C15H26O4 ChemAxon inchi InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2 ChemAxon inchikey XRHCAGNSDHCHFJ-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 72.52 ChemAxon polarizability 30.9 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 73251 Specdb::MsMs 73252 Specdb::MsMs 73253 Specdb::MsMs 132366 Specdb::MsMs 132367 Specdb::MsMs 132368 Specdb::MsMs 2727796 Specdb::MsMs 2727797 Specdb::MsMs 2727798 Specdb::MsMs 2978513 Specdb::MsMs 2978514 Specdb::MsMs 2978515 Specdb::CMs 13117 Specdb::CMs 27378 Specdb::CMs 29254 Specdb::CMs 102151 Specdb::CMs 102152 Specdb::CMs 153843 HMDB40459 #<Reference:0x000055ce33586450> ambrette floral musk musky musty powdery sweet woody