Diethyl Ether
PubChem CID: 3283
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| Compound Synonyms | DIETHYL ETHER, ether, Ethyl ether, Ethoxyethane, 60-29-7, Pronarcol, Diethyl oxide, Ethyl oxide, Aether, DIETHYLETHER, Solvent ether, Anesthetic ether, Anaesthetic ether, 3-Oxapentane, Ether, ethyl, Diaethylaether, Dwuetylowy eter, Ether ethylique, Etere etilico, Ethane, 1,1'-oxybis-, Anesthesia ether, Oxyde d'ethyle, 1,1'-Oxybisethane, Diethylaether, 1,1'-oxydiethane, Sulfuric ether, aether pro narcosi, Ethyl ether, tech., RCRA waste number U117, Etherum, NSC 100036, MFCD00011646, NSC-100036, DTXSID3021720, CHEBI:35702, 0F5N573A2Y, (C2H5)2O, Ether [JAN], Diaethylaether [German], Etere etilico [Italian], Dwuetylowy eter [Polish], Ether ethylique [French], Oxyde d'ethyle [French], Ether, Diethyl, 667919-88-2, HSDB 70, Et2O, Ether [USP:JAN], ETHER, ANHYDROUS, ethane, 1,1'-oxybis, EINECS 200-467-2, UN1155, RCRA waste no. U117, dietylether, Diethyether, di ethylether, di-ethylether, diehtyl ether, diethyl-ether, ether anhydrous, ethoxy-ethane, monoethyl ether, Anhydrous ether, diethl ether, diethy ether, dietyl ether, ehtyl ether, ethyl-ether, diethyI ether, UNII-0F5N573A2Y, 2-ethoxyethane, AI3-24233, di ethyl ether, di-ethyl ether, ethyl ether-, EtOEt, Ether anaesthesicus, 1-Ethoxyethane #, Ethane,1'-oxybis-, Diethyl ether [Anaesthetics, volatile], 1,1' -oxybisethane, 1,1'-oxy-bisethane, 1,1'-oxybis ethane, OEt2, 1,1'-oxobis(ethane), 1,1'-oxybis(ethane), ETHERUM [HPUS], ETHER [VANDF], ETHER [HSDB], Ether (JP17/USP), ETHER [II], ETHYL ETHER [MI], EC 200-467-2, O(Et)2, Diethyl ether or ethyl ether, Diethylether (Peptide Grade), ETHER [EP MONOGRAPH], Diethyl ether, >=99.5%, CHEMBL16264, ETHER [USP MONOGRAPH], ETHYL ETHER [WHO-DD], Ethyl ether anhydrous A.C.S., SOLVENT ETHER [MART.], DTXCID101720, O(CH2CH3)2, WLN: 2O2, Diethyl ether, p.a., 99.0%, Diethyl ether, p.a., 99.5%, Diethyl ether, analytical standard, ANAESTHETIC ETHER [WHO-IP], DIETHYL ETHER (ETHYL ETHER), O(C2H5)2, Diethylether (Peptide Grade), 99%, NSC100036, STL445704, AKOS015950740, Diethyl ether, ACS reagent, 99.5%, DB13598, Diethyl ether, Spectrophotometric Grade, UN 1155, ETHER ANAESTHESICUS [WHO-IP LATIN], Diethylether 100 microg/mL in Acetonitrile, D3479, Diethyl ether, SAJ first grade, >=99.0%, NS00001638, Diethyl ether, JIS special grade, >=99.5%, D01772, Diethyl ether, UV HPLC spectroscopic, 99.9%, Diethyl ether, anhydrous, 99.5%, ?50 ppm H2O, Ethyl ether anhydrous stabilized with 5ppm of BHT, Q202218, Diethyl ether, Laboratory Reagent, >=99.5% (GC), Diethyl ether, for HPLC, >=99.9%, inhibitor-free, Diethyl ether, for UV-spectroscopy, >=99.8% (GC), InChI=1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H, 1-hydroperoxy-8-carboxyoctyl 3,4-epoxynon-(2E)-enyl ether, Diethyl ether or ethyl ether [UN1155] [Flammable liquid], Diethyl ether, anhydrous, ACS, 99% min, stab. with BHT, Diethyl ether, puriss., 99.0%, contains 0.0025% BHT, Diethyl ether anhydrous ACS grade stabilized with 5ppm of BHT, Diethyl ether, puriss. p.a., ACS reagent, >=99.8% (GC), Diethyl ether, Spectrophotometric Grade, 99%, inhibitor free, Ethyl ether, anhydrous, stabilized with BHT, Max water 50ppm, Diethyl ether, AR, contains 5 ppm BHT as stabilizer, >=99.5%, Diethyl ether, for HPLC, contains 5 ppm BHT as stabilizer, >=99%, Diethyl ether, LR, contains 5 ppm BHT as stabilizer, >=99.5%, Diethyl ether, p.a., ACS reagent, 99.5%, contains 0.0025% BHT, Diethyl ether, spectrophotometric grade, >=99.9%, inhibitor-free, Diethyl ether, ACS reagent, anhydrous, >=99.0%, contains BHT as inhibitor, Diethyl ether, anhydrous, ACS reagent, >=99.0%, contains BHT as inhibitor, Diethyl ether, anhydrous, contains 5 ppm BHT as stabilizer, >=99.5%, Diethyl ether, contains 1 ppm BHT as inhibitor, anhydrous, >=99.7%, Diethyl ether, ACS reagent, >=98.0%, contains ~2% ethanol and ~10ppm BHT as inhibitor, Diethyl ether, anhydrous, ACS reagent, >=99.0%, contains 1 ppm BHT as inhibitor, Diethyl Ether, Pharmaceutical Secondary Standard, Certified Reference Material, Diethyl ether, puriss., dried over molecular sieve (H2O <=0.005%), >=99.8% (GC), Diethyl ether, puriss., meets analytical specification of Ph.??Eur., BP, >=99.5% (GC), Diethyl ether, reagent grade, >=98%, contains ~2% ethanol and ~10ppm BHT as inhibitor, 200-467-2, Diethyl ether, contains BHT as inhibitor, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8% |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Description | 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). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 11.1 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., O14649 |
| Iupac Name | ethoxyethane |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Xlogp | 0.9 |
| Superclass | Organic oxygen compounds |
| Subclass | Ethers |
| Molecular Formula | C4H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RTZKZFJDLAIYFH-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 2.0 |
| Synonyms | Ether [jan], Ether, anhydrous, Ethers, 1,1'-Oxybisethane, 3-Oxapentane, Aether, Aether pro narcosi, Anesthetic ether, Diethyl oxide, Diethylaether, Ether, Ethoxyethane, Ethyl ether, Ethyl oxide, Pronarcol, R-610, Diethyl ether, Ether, diethyl, Ether, ethyl |
| Compound Name | Diethyl Ether |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 74.0732 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 74.0732 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 74.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -0.7282626 |
| Inchi | InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 |
| Smiles | CCOCC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dialkyl ethers |
- 1. Outgoing r'ship
FOUND_INto/from Alkanna Cappadocica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Atalantia Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Buddleja Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Crambe Tatarica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Diospyros Eriantha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Fragaria Ananassa (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Fritillaria Ningguoensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Hoffmannia Strigillosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Juniperus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Lemaireocereus Griseus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Millettia Erythrocalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Ononis Vaginalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Pteris Semipinnata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Rapanea Lancifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Salvia Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Scorzonera Pseudodivaricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Syncarpia Hillii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all