Identifikatoren & physikalische Daten
| CAS No. | 99-85-4 |
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| Summenformel | C10H16 |
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| Durchschnittliche Molmasse | 136,23 g/mol |
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| Monoisotopische Masse | 136,12520051 g/mol |
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| SMILES | CC1=CCC(C(C)C)=CC1 |
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| InChIKey | YKFLAYDHMOASIY-UHFFFAOYSA-N |
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| PubChem CID | 7461 |
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| ChEMBL | CHEMBL449693 |
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| ChEBI | CHEBI:10577 |
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| EC No. | 202-794-6 |
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| DTXSID | DTXSID6041210 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
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| Polarare Oberfläche (TPSA) | 0 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 0 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 170 |
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| Stoffklassen | Biological Agents -> Terpenes |
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| Lipide | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102] |
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| SpringerMaterials Properties | Density |
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| Duftstoffe | Fragrance Ingredient (p-Mentha-1,4-diene) -> IFRA transparency List |
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| LogP (Verteilungskoeffizient) | 4.50 |
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| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| Dichte | 0.841-0.8450.849 g/cm3 |
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| Aromastoffe | EU Flavoring substances |
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| Löslichkeit | 0.00868 mg/mL at 22 °CInsoluble in watersoluble in most fixed oilsSoluble (in ethanol) |
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| Siedepunkt | 181.00 to 183.00 °C. @ 760.00 mm Hg182 °C183 °C |
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| Schmelzpunkt | -10 °C |
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| Dampfdruck | 1.09 [mmHg] |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.1% (3 of 2186) of reports.DangerH226 (99.4%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2186 reports by companies from 29 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: p-mentha-1,4-diene (EC: 202-794-6)gamma-Terpinene: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - Terpinene, terpinolene and phellandrene: Human health tier II assessment |
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| Gefahrenübersicht | A moderate skin irritant[RTECS] Safe when used as a flavoring agent in food[JECFA] A skin and strong eye irritant[Sigma-Aldrich MSDS] See Terpinolene. See TERPENES. |
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| Hazard Classes and Categories | Flam. Liq. 3 (99.4%)Aspiration hazard - category 1 |
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| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
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| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H226 |
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