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HCID 20903Erstellt: 27. Oktober 2026
Cyclohex-3-en-1-carbonsure
3-CYCLOHEXENE-1-CARBOXYLIC ACID · CYCLOHEX-3-ENE-1-CARBOXYLIC ACID · CYCLOHEX-3-ENECARBOXYLIC ACID · Cyclohexenecarboxylic acid · RARECHEM AL BE 0004 · TIMTEC-BB SBB006583 · 3-Cyclohexenecarboxy · 3-cyclohexencarboxylic
https://huagongshe.com/de/chemical/20903
Identifikatoren & physikalische Daten
| CAS No. | 4771-80-6 |
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| Summenformel | C7H10O2 |
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| Durchschnittliche Molmasse | 126,15 g/mol |
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| Monoisotopische Masse | 126,06807956 g/mol |
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| SMILES | O=C(O)C1CC=CCC1 |
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| InChIKey | VUSWCWPCANWBFG-UHFFFAOYSA-N |
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| PubChem CID | 20903 |
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| EC No. | 225-314-7 |
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| DTXSID | DTXSID40871099 |
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| Lokaler Name | Cyclohex-3-en-1-carbonsure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 138 |
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| LogP (Verteilungskoeffizient) | 1.69 |
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| Schmelzpunkt | 17 °C (lit.) |
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| Siedepunkt | 130-133 °C/4 mmHg (lit.) |
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| Dichte | 1.081 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.48(lit.) |
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| Flammpunkt | 230 °F |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| pKa (Säurekonstante) | 4.67±0.20(Predicted) |
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| Aggregatzustand | Liquid |
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| Wichte | 1.08 |
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| Farbe | Clear yellow-brownish to gray-bluish |
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| Löslichkeit | insoluble |
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| BRN | 1617723 |
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| Stabilität | Stable. Combustible. Incompatible with bases, strong oxidizing agents. |
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| InChI | 1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9) |
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| InChIKey | VUSWCWPCANWBFG-UHFFFAOYSA-N |
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| SMILES | OC(=O)C1CCC=CC1 |
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| CAS Datenbank | 4771-80-6(CAS DataBase Reference) |
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| NIST chemische Informationen | 3-Cyclohexene-1-carboxylic acid(4771-80-6) |
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| EPA chemische Informationen | 3-Cyclohexene-1-carboxylic acid (4771-80-6) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH312 (95.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]P260, P264, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 28-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20658 |
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| Hazard Classes and Categories | Acute Tox. 4 (95.9%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 3265 8/PG 2 |
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| Zollcode | 29162090 |
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| RTECS-Nr. | GW3675000 |
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| R-Sätze (R) | 21-34 |
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| Gefahrensymbole | C,Xi |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Gefahrenklasse | 8Acute Tox. 4 DermalSkin Corr. 1B |
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| Verpackungsgruppe | III |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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