1.0 2010-04-08 22:06:16 UTC 2025-11-18 22:56:24 UTC FDB004482 Ether 1-hydroperoxy-8-carboxyoctyl 3,4-epoxynon-(2e)-enyl ether, also known as ether or ethyl oxide, is a member of the class of compounds known as dialkyl ethers. Dialkyl ethers are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups. 1-hydroperoxy-8-carboxyoctyl 3,4-epoxynon-(2e)-enyl ether is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-hydroperoxy-8-carboxyoctyl 3,4-epoxynon-(2e)-enyl ether can be found in tea, which makes 1-hydroperoxy-8-carboxyoctyl 3,4-epoxynon-(2e)-enyl ether a potential biomarker for the consumption of this food product. 1-hydroperoxy-8-carboxyoctyl 3,4-epoxynon-(2e)-enyl ether is a non-carcinogenic (not listed by IARC) potentially toxic compound. Inhalation may result in dizziness, giddiness, euphoria, drowsiness, salivation, and CNS depression. Diethyl ether is also a skin and eye irritant (T36) (T3DB). Ether [jan] Ether, anhydrous Ethers C4H10O 74.1216 74.073164942 ethoxyethane diethyl ether 60-29-7 CCOCC InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 RTZKZFJDLAIYFH-UHFFFAOYSA-N belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups. Dialkyl ethers Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Dialkyl ether Hydrocarbon derivative a small molecule ether logp 1.12 ALOGPS logs -0.28 ALOGPS solubility 3.90e+01 g/l ALOGPS logp 0.84 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac ethoxyethane ChemAxon average_mass 74.1216 ChemAxon mono_mass 74.073164942 ChemAxon smiles CCOCC ChemAxon formula C4H10O ChemAxon inchi InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 ChemAxon inchikey RTZKZFJDLAIYFH-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 22.51 ChemAxon polarizability 9.33 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 792 Specdb::MsIr 10446 Specdb::MsIr 10447 Specdb::NmrOneD 2528 Specdb::NmrOneD 3226 Specdb::NmrOneD 66252 Specdb::NmrOneD 66253 Specdb::NmrOneD 66254 Specdb::NmrOneD 66255 Specdb::NmrOneD 66256 Specdb::NmrOneD 66257 Specdb::NmrOneD 66258 Specdb::NmrOneD 66259 Specdb::NmrOneD 66260 Specdb::NmrOneD 66261 Specdb::NmrOneD 66262 Specdb::NmrOneD 66263 Specdb::NmrOneD 66264 Specdb::NmrOneD 66265 Specdb::NmrOneD 66266 Specdb::NmrOneD 66267 Specdb::NmrOneD 66268 Specdb::NmrOneD 66269 Specdb::NmrOneD 66270 Specdb::NmrOneD 66271 Specdb::MsMs 59784 Specdb::MsMs 59785 Specdb::MsMs 59786 Specdb::MsMs 115995 Specdb::MsMs 115996 Specdb::MsMs 115997 Specdb::MsMs 2724968 Specdb::MsMs 2724969 Specdb::MsMs 2724970 Specdb::MsMs 2957697 Specdb::MsMs 2957698 Specdb::MsMs 2957699 Specdb::CMs 27645 Specdb::CMs 28835 Specdb::CMs 34600 Specdb::CMs 102509 Specdb::CMs 102510 Specdb::CMs 167942 25698 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442