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2-Phenylpropan-1-ol
2-Phenylpropan-1-ol · 2-PHENYL-1-PROPANOL · FEMA 2732 · HYDRATROPIC ALCOHOL · 2-PHENYL PROPYL ALCOHOL · Benzeneethanol, .beta.-methyl- · 3-Bromo-β2-phenylpropan- · HYDRATROPAALKOHOL
Identifikatoren & physikalische Daten
| CAS No. | 1123-85-9 |
|---|---|
| Summenformel | C9H12O |
| Durchschnittliche Molmasse | 136,19 g/mol |
| Monoisotopische Masse | 136,088815 g/mol |
| SMILES | CC(CO)c1ccccc1 |
| InChIKey | RNDNSYIPLPAXAZ-UHFFFAOYSA-N |
| PubChem CID | 14295 |
| ChEMBL | CHEMBL2323841 |
| ChEBI | CHEBI:193640 |
| EC No. | 214-379-7 |
| DTXSID | DTXSID8037756 |
| Lokaler Name | 2-Phenylpropan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 84 |
| Dichte | 0.971-0.9780.975 g/mL at 25 °C (lit.) |
| Löslichkeit | Soluble in oilsSlightly soluble in waterSoluble (in ethanol)insoluble |
| Siedepunkt | 113.00 to 114.00 °C. @ 14.00 mm Hg219 °C110-111 °C/10 mmHg (lit.) |
| Brechungsindex | 1.523-1.530n20/D 1.526(lit.) |
| Physical Description | Colorless liquid[Alfa Aesar MSDS]Colourless liquidSweet floral lilac, hyacinth type aroma |
| Kovats Retention Index | 1144.611791975.11920 |
| Schmelzpunkt | -37 °C |
| Dampfdruck | 3.45hPa at 25℃ |
| FEMA | 2732 | BETA-METHYLPHENETHYL ALCOHOL |
| Flammpunkt | 201 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 14.79±0.10(Predicted) |
| Wichte | 1.015 |
| Farbe | Colorless to Almost colorless |
| Geruch | at 100.00 %. green spicy hyacinth balsam lilac honeysuckle |
| Geruchsart | balsamic |
| Biologische Quelle | synthetic |
| JECFA Number | 1459 |
| BRN | 1906760 |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 |
| InChIKey | RNDNSYIPLPAXAZ-UHFFFAOYSA-N |
| SMILES | CC(CO)c1ccccc1 |
| LogP (Verteilungskoeffizient) | 1.8 at 20℃ |
| CAS Datenbank | 1123-85-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzeneethanol, «beta»-methyl-(1123-85-9) |
| EPA chemische Informationen | Benzeneethanol, .beta.-methyl- (1123-85-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 93.1% (268 of 288) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 268 of 288 companies (only 6.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 288 reports by companies from 5 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 268 of 288 reports by companies.There are 4 notifications provided by 20 of 288 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. |
|---|---|
| Regulatorische Informationen | Chemical: Benzeneethanol, .beta.-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 09-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30222Benzeneethanol, .beta.-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Gefahrenübersicht | Causes changes in liver, bladder, and kidney weights, changes in erythrocyte count, normocytic anemia, and weight loss in 13-week oral studies of rats[RTECS] Safe when used as a flavoring agent in food[JECFA] May cause irritationHarmful by ingestion[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29062900 |
| RTECS-Nr. | SG8590000 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23-24/25-36 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Beschreibung
β-Methylphenethyl alcohol has a faint, aromatic odor reminiscent of hyacinth. May be prepared by reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known.
Verwenden
2-Phenyl-1-propanol was used to study the synergism between enzyme catalysis and microwave irradiation.
Herstellung & Synthese
synthetische
By reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known