HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 69415Erstellt: 4. November 2026
Pentylisothiocyanat
Pentane, 1-isothiocyanato- · Amyl mustard oil · Pentyl isothiocyanate · N-AMYL ISOTHIOCYANATE · 1-PENTYL ISOTHIOCYANATE · N-PENTYL ISOTHIOCYANATE · Pentyl isothiocyate, 99% · 1-ISOTHIOCYANATO-PENTANE
https://huagongshe.com/de/chemical/69415
Identifikatoren & physikalische Daten
| CAS No. | 629-12-9 |
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| Summenformel | C6H11NS |
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| Durchschnittliche Molmasse | 129,23 g/mol |
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| Monoisotopische Masse | 129,06122035 g/mol |
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| SMILES | CCCCCN=C=S |
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| InChIKey | SGHJUJBYMSVAJY-UHFFFAOYSA-N |
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| PubChem CID | 69415 |
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| ChEMBL | CHEMBL1814589 |
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| EC No. | 211-075-6 |
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| DTXSID | DTXSID10212071 |
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| Lokaler Name | Pentylisothiocyanat |
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Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
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| Polarare Oberfläche (TPSA) | 44,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 84,5 |
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| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| Dichte | 0.942-0948 (20 °C)0.93 |
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| Löslichkeit | very slightlyVery slightly soluble in waterfreely soluble in etherSoluble (in ethanol) |
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| Siedepunkt | 117.00 to 119.00 °C. @ 70.00 mm Hg101-103 °C (35 mm Hg)95 °C |
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| Brechungsindex | 1.495-1.5011.4965 |
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| Physical Description | Colourless to yellow liquidSharp green irritating aroma |
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| FEMA | 4417 | AMYL ISOTHIOCYANATE |
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| Flammpunkt | 32°C |
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| Wichte | 0.93 |
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| Geruch | green |
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| JECFA Number | 1891 |
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| BRN | 1746691 |
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| LogP (Verteilungskoeffizient) | 3.06 |
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| CAS Datenbank | 629-12-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Corr. 1B (100%) |
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| UN-Transportnummer | 3080 |
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| R-Sätze (R) | 10-22-23-36/37/38-42 |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | 8 |
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| Verpackungsgruppe | III |
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