HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 162249Erstellt: 27. Oktober 2026
Methyl-2-hexyl-3-oxocyclopentancarboxylat
DIHYDROJASMONATE · Einecs 253-379-1 · DIHYDROISOJASMONAT · EXOVERT HIGH IMPACT · RUBARBUS HIGH IMPACT · TROPALONE HIGH IMPACT · DIHYDRO ISOJASMONATE(TM) · Methyldihydroisojasmonate
https://huagongshe.com/de/chemical/162249
Identifikatoren & physikalische Daten
| CAS No. | 37172-53-5 |
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| Summenformel | C13H22O3 |
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| Durchschnittliche Molmasse | 226,31 g/mol |
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| Monoisotopische Masse | 226,15689456 g/mol |
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| SMILES | CCCCCCC1C(=O)CCC1C(=O)OC |
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| InChIKey | IPWBXORAIBJDDQ-UHFFFAOYSA-N |
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| PubChem CID | 162249 |
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| EC No. | 253-379-1 |
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| DTXSID | DTXSID5052048 |
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| Lokaler Name | Methyl-2-hexyl-3-oxocyclopentancarboxylat |
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Chemische & physikalische Eigenschaften
| XLogP | 3 |
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| Polarare Oberfläche (TPSA) | 43,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 7 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 248 |
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| Siedepunkt | 308.6±35.0 °C(Predicted) |
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| Dichte | 0.999±0.06 g/cm3(Predicted) |
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| Dampfdruck | 0.042Pa at 20℃ |
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| Geruch | at 100.00 %. green jasmin floral fresh oily herbal |
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| Geruchsart | floral |
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| Löslichkeit | 186mg/L at 20.1℃ |
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| Kosmetik-Inhaltsstoffe Funktionen | PERFUMINGFRAGRANCETONIC |
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| LogP (Verteilungskoeffizient) | 3.2 at 22℃ |
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| EPA chemische Informationen | Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, methyl ester (37172-53-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 92.3% (1525 of 1652) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 1525 of 1652 companies (only 7.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 1652 reports by companies from 4 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 1525 of 1652 reports by companies.There are 3 notifications provided by 127 of 1652 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. |
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| Regulatorische Informationen | Chemical: Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, methyl esterStatus: Active Update: 25-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/28081Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Not Classified |
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| TSCA-Inventar-Status | TSCA listed |
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