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HCID 94137Erstellt: 26. Oktober 2026
3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-ol
3a,4,5,6,7,7a-Hexahydro-exo-4,7-methanoinden-5-ol · 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-ol · 3a,4,5,6,7,7a-hexahydro- 4,7-methano-1H-inden-5-o · 5-Hydroxy-3a,4,5,6,7,7a-hexahydro-4,7-methanoindene · 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro- · 133-21-1 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-ol C10H14O
https://huagongshe.com/de/chemical/94137
Identifikatoren & physikalische Daten
| CAS No. | 133-21-1 |
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| Summenformel | C10H14O |
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| Durchschnittliche Molmasse | 150,22 g/mol |
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| Monoisotopische Masse | 150,10446507 g/mol |
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| SMILES | OC1CC2CC1C1C=CCC21 |
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| InChIKey | LDUKQFUHJZHLRC-UHFFFAOYSA-N |
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| PubChem CID | 94137 |
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| EC No. | 205-099-6 |
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| DTXSID | DTXSID60865339 |
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| Lokaler Name | 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-ol |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 209 |
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| Schmelzpunkt | 97-98℃ |
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| Siedepunkt | 116-118℃ (10 Torr) |
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| Dichte | 1.157±0.06 g/cm3(Predicted) |
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| Brechungsindex | 1.5065 (589.3 nm 20℃) |
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| pKa (Säurekonstante) | 15.02±0.20(Predicted) |
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| InChI | InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-11H,2,4-5H2 |
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| InChIKey | LDUKQFUHJZHLRC-UHFFFAOYSA-N |
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| SMILES | C1C2C(C3CC2CC3O)C=C1 |
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| LogP (Verteilungskoeffizient) | 1.730 (est) |
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| EPA chemische Informationen | 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-ol (133-21-1) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.WarningH302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | Acute Tox. 4 (98.1%) |
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| TSCA-Inventar-Status | TSCA listed |
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