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Epoxycyclohexan
7-OXABICYCLO[4.1.0]HEPTANE · 1,2-EPOXYCYCLOHEXANE · EPOXYCYCLOHEXANE · 1,2-epoxy-cyclohexan · (1R,6S)-7-Oxabicyclo[4.1.0]heptane · HXO · Ccho · ohexene oxide
Identifikatoren & physikalische Daten
| CAS No. | 286-20-4 |
|---|---|
| Summenformel | C6H10O |
| Durchschnittliche Molmasse | 98,14 g/mol |
| Monoisotopische Masse | 98,07316494 g/mol |
| SMILES | C1CCC2OC2C1 |
| InChIKey | ZWAJLVLEBYIOTI-UHFFFAOYSA-N |
| PubChem CID | 9246 |
| ChEMBL | CHEMBL1361659 |
| EC No. | 206-007-7 |
| DTXSID | DTXSID6024880 |
| Lokaler Name | Epoxycyclohexan |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 70 |
| Geruch | STRONG ODOR |
| Dichte | 0.967 @ 25 °C/4 °C0.97 g/mL at 25 °C(lit.) |
| Color/Form | COLORLESS LIQUID |
| Löslichkeit | SOL IN ALC, ETHER, ACETONEINSOL IN WATERVERY SOL IN BENZENESOL IN CHLOROFORMINSOLUBLE |
| Flammpunkt | 81 °C CC81 °F |
| Siedepunkt | 129-130 °C129-130 °C(lit.) |
| Schmelzpunkt | GREATER THAN -10 °C-40 °C |
| Brechungsindex | INDEX OF REFRACTION: 1.4503 @ 25 °C/Dn20/D 1.452(lit.) |
| Physical Description | Colorless liquid[HSDB] |
| Kovats Retention Index | 11581152 |
| Dampfdruck | 12 hPa (20 °C) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| Explosionsgrenze | 1.2-6.5%(V) |
| BRN | 383568 |
| InChI | 1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2 |
| InChIKey | ZWAJLVLEBYIOTI-UHFFFAOYSA-N |
| SMILES | C1CCC2OC2C1 |
| CAS Datenbank | 286-20-4(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclohexene oxide(286-20-4) |
| EPA chemische Informationen | Cyclohexene oxide (286-20-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 3.2% (5 of 158) of reports.DangerH226 (95.6%): Flammable liquid and vapor [Warning Flammable liquids]H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (84.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]H312 (20.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (77.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (58.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H331 (72.2%): Toxic if inhaled [Danger Acute toxicity, inhalation]H341 (52.5%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 158 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 5 of 158 reports by companies.There are 15 notifications provided by 153 of 158 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: 7-Oxabicyclo[4.1.0]heptaneStatus: Active Update: 20-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5629Epoxycyclohexane: Does not have an individual approval but may be used under an appropriate group standard |
| Brandpotenzial | FLAMMABLE, DANGEROUS FIRE RISK. |
| Gefahrenübersicht | A tumorigen and mutagen[RTECS] An irritant[MSDSonline] |
| Peroxide Forming Chemical | Cyclohexene OxideD*: Other compounds that may form peroxides1 samples had 1 ppm peroxideage >1 yrsManagement of time-sensitive chemicals (JCHAS) |
| Hazard Classes and Categories | Flam. Liq. 3 (95.6%)Acute Tox. 4 (96.2%)Acute Tox. 3 (84.8%)Acute Tox. 4 (20.9%)Skin Corr. 1B (77.8%)Eye Dam. 1 (58.9%)Acute Tox. 3 (72.2%)Muta. 2 (52.5%)Flammable liquids - Category 3Acute toxicity (Oral) - Category 4Acute toxicity (Dermal) - Category 3 |
| Wechselwirkungen | MODIFIER OF MICROSOMAL EPOXIDE HYDRASE ACTIVITY, CYCLOHEXENE OXIDE, EXERTS DIFFERENTIAL EFFECTS ON CATALYTIC ACTIVITY OF PURIFIED ENZYME FROM RAT LIVER. CYCLOHEXENE OXIDE INHIBITS RATE OF METAB OF BENZO(A)PYRENE 11,12-OXIDE & DIBENZO(A,H)-ANTHRACENE 5,6-OXIDE.CYCLOHEXENE OXIDE ADMIN IP TO RATS, INHIBITED BILIARY EXCRETION OF METHYL MERCURY. THESE RESULTS PROBABLY REFLECT THE CONJUGATION OF CYCLOHEXENE TO GLUTATHIONE IN THE LIVER.CO-ADMIN OF CYCLOHEXANE OXIDE AND CHLOROBENZENE REDUCED THE RATE OF METABOLISM OF CHLOROBENZENE AND PREVENTED HEPATIC CENTRILOBULAR NECROSIS CAUSED BY THIS COMPD IN RATS.INDUCED LUNG HYDROXYLASES HAD KM VALUES OF 1.10 AND 0.52 IN MOUSE AND HAMSTER, RESPECTIVELY. THEY WERE STRONGLY STIMULATED BY CYCLOHEXENE OXIDE. |
| Ongoing Test Status | The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=286-20-4] |
| Human Toxicity Excerpts | CYCLOHEXENE OXIDE IS A CILIA TOXIC AND MUCUS COAGULATING AGENT IDENTIFIED IN AIR POLLUTANTS. /FROM TABLE/ |
| Non-Human Toxicity Excerpts | MUTAGENICITY: MUTATION RESEARCH 87: 17 (1981). SISTER CHROMATID EXCHANGE - IN VITRO CHROMOSOMAL EFFECT STUDIES, NON-HUMAN: QUESTIONABLE.CYCLOHEXANE OXIDE WAS INVESTIGATED USING AMES SALMONELLA TYPHIMURIUM ASSAY WITHOUT ADDN OF LIVER HOMOGENATE FRACTIONS. IT IS FOUND TO BE A WEAK MUTAGEN FOR TA100 & TA1535 STRAINS.12 EPOXIDE COMPD WERE TESTED FOR CARCINOGENIC ACTIVITY IN RATS AFTER SC INJECTION @ MAX TOLERATED DOSES WITHOUT TOXIC OR ULCERATIVE EFFECTS. 1,2-EPOXYCYCLOHEXANE WAS INACTIVE.CYCLOHEXENE OXIDE EXERTED DIFFERENTIAL EFFECTS ON NUCLEAR AND MICROSOMAL EPOXIDE HYDRASE WHICH WERE DEPENDENT ON SUBSTRATE AND ON THE ORGANELLE. |
| Toxicity Data | LCLo (rat) = 2,000 ppm/4h |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2924 3/PG 3 |
| Zollcode | 29109000 |
| RTECS-Nr. | RN7175000 |
| R-Sätze (R) | 10-20/21/22-34 |
| Toxizität | LD50 orally in Rabbit: 1060 mg/kg LD50 dermal Rabbit 612 mg/kg |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-16 |
| Gefahrenklasse | 8Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Muta. 2Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 286-20-4(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 703 °F |
Anwendungen & Verwendung
Verwenden
Cyclohexene oxide has been patented for use as an insecticidal fumigant. Cyclohexene oxide is an important intermediate in the organic industry. It is employed in the manufacture of medicines, pesticides, dyes, and perfumes. In addition, cyclohexene oxide can be used as a monomer in polymerization, chain-cutting agent, flame retardant and diluting agent among other uses. Cyclohexene oxide is useful as a monomer in polymerization with CO2 for production of cyclic carbonates and polycarbonates in the presence of different catalysts.