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HCID 11525Erstellt: 27. Oktober 2026
Methylcyclohexanon
Methylcyclohexanone · methyl-cyclohexanon · metylocykloheksanon · Cyclohexanone, methyl- · Methylcyclohexanonemixture · Methylcyclohexanone(general) · methylcyclohexanone(mixedisomers) · Methylcyclohexanone, isomer mixture
https://huagongshe.com/de/chemical/11525
Identifikatoren & physikalische Daten
| CAS No. | 1331-22-2 |
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| Summenformel | C7H12O |
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| Durchschnittliche Molmasse | 112,17 g/mol |
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| Monoisotopische Masse | 112,088815 g/mol |
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| SMILES | CC1CCC(=O)CC1 |
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| InChIKey | VGVHNLRUAMRIEW-UHFFFAOYSA-N |
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| PubChem CID | 11525 |
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| ChEBI | CHEBI:195392 |
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| EC No. | 209-665-3 |
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| DTXSID | DTXSID5060435 |
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| Lokaler Name | Methylcyclohexanon |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 17,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 86,6 |
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| Solvents | Solvents -> Ketones (<C12) |
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| SpringerMaterials Properties | Coriolis coupling |
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| LogP (Verteilungskoeffizient) | 1.38 |
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| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| Dichte | 0.924-0.9340.914 g/mL at 20 °C(lit.) |
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| Löslichkeit | insoluble in watersoluble in oilsMiscible at room temperature (in ethanol) |
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| Siedepunkt | 169.00 to 171.00 °C. @ 760.00 mm Hg169-171 °C167-169 °C(lit.) |
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| Schmelzpunkt | -40.6 °C |
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| Dampfdruck | 1.5 [mmHg] |
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| Brechungsindex | 1.441-1.452n20/D 1.446 |
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| Physical Description | Clear light yellow liquid[Sigma-Aldrich MSDS]Colourless liquidmusty animalistic odour |
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| Flammpunkt | 48 °C |
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| Dielektrizitätskonstante | 18.0(89℃) |
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| EPA chemische Informationen | Methylcyclohexanone (1331-22-2) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 96 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H226: Flammable liquid and vapor [Warning Flammable liquids] |
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| Regulatorische Informationen | Chemical: Cyclohexanone, methyl-Status: Active Update: 10-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25117Methylcyclohexanone (mixture of isomers): Does not have an individual approval but may be used under an appropriate group standard4-Methylcyclohexanone: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | TLV Basis is liver effects and CNS impairment. TLV-TWA is 20 ppm for Methylcyclohexanone (mixture of the 3 isomers), CAS number 1331-22-2. Causes liver toxicity in feeding study of rats. [ACGIH] Causes change in cardiac rate and lowered blood pressure in intravenous lethal-dose studies of dogs[RTECS] Safe when used as a flavoring agent in food[JECFA] May cause irritationHarmful by ingestion[Sigma-Aldrich MSDS] |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%)Flammable liquids - Category 3 |
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| Threshold Limit Values (TLV) | 20.0 [ppm] |
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| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
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| Wassergefährdungsklasse (WGK) | 1 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 2297 |
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| RTECS-Nr. | GW1575000 |
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