HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 20155Erstellt: 26. Oktober 2026
1-Phenylprop-2-in-1-ol
PHENYLETHYNYLCARBINOL · ETHYNYLPHENYLCARBINOL · 1-PHENYL-PROP-2-YN-1-OL · Phenylpropynol · Phenyl-2-propy · TIMTEC-BB SBB008986 · 1-PHENYL-2-PROPYN-1-OL · à-ethynylbenzyl alcohol
https://huagongshe.com/de/chemical/20155
Identifikatoren & physikalische Daten
| CAS No. | 4187-87-5 |
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| Summenformel | C9H8O |
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| Durchschnittliche Molmasse | 132,16 g/mol |
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| Monoisotopische Masse | 132,05751488 g/mol |
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| SMILES | C#CC(O)c1ccccc1 |
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| InChIKey | UIGLAZDLBZDVBL-UHFFFAOYSA-N |
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| PubChem CID | 20155 |
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| ChEMBL | CHEMBL2323854 |
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| EC No. | 224-064-6 |
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| DTXSID | DTXSID10871061 |
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| Lokaler Name | 1-Phenylprop-2-in-1-ol |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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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 | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 136 |
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| Schmelzpunkt | 22-23 °C(lit.) |
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| Siedepunkt | 135-136 °C13 mm Hg(lit.) |
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| Dichte | 1.087 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.549(lit.) |
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| Flammpunkt | 211 °F |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| pKa (Säurekonstante) | 12.40±0.20(Predicted) |
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| Aggregatzustand | Liquid |
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| Wichte | 1.087 |
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| Farbe | Clear yellow |
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| BRN | 742365 |
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| InChI | 1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H |
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| InChIKey | UIGLAZDLBZDVBL-UHFFFAOYSA-N |
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| SMILES | OC(C#C)c1ccccc1 |
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| CAS Datenbank | 4187-87-5(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (86.7%): 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 98 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (86.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN2810 |
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| Zollcode | 29062990 |
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| RTECS-Nr. | DO5900000 |
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| R-Sätze (R) | 22-36/37/38 |
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| Toxizität | mouse,LD50,intraperitoneal,240mg/kg (240mg/kg),Farmaco, Edizione Scientifica. Vol. 8, Pg. 406, 1953. |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 10 - Combustible liquids |
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