HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methyl-4-phenylbutan-2-ol
2-methyl-4-phenylbutan-2-ol · Benzenepropanol, .alpha.,.alpha.-dimethyl- · muguet carbinol · α,α-Dimethylbenzenepropanol · DIMETHYLPHENYLETHYLCARBINOL · 2-methyl-4-phenyl-butan-2-ol · Phenylethyl dimethyl carbinol · FEMA 3629
Identifikatoren & physikalische Daten
| CAS No. | 103-05-9 |
|---|---|
| Summenformel | C11H16O |
| Durchschnittliche Molmasse | 164,24 g/mol |
| Monoisotopische Masse | 164,12011513 g/mol |
| SMILES | CC(C)(O)CCc1ccccc1 |
| InChIKey | YXVSKJDFNJFXAJ-UHFFFAOYSA-N |
| PubChem CID | 7632 |
| ChEMBL | CHEMBL3182328 |
| ChEBI | CHEBI:195767 |
| EC No. | 203-074-4 |
| DTXSID | DTXSID3021851 |
| Lokaler Name | 2-Methyl-4-phenylbutan-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 123 |
| Kosmetika | Masking |
| SpringerMaterials Properties | Optical coefficient |
| Duftstoffe | Fragrance Ingredient (2-Methyl-4-phenyl-2-butanol) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.960-0.9660.966 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Soluble in fatsSlightly soluble in waterSoluble (in ethanol)4.569g/L at 20℃ |
| Siedepunkt | 144 °C (85 mm Hg)144 °C85 mm Hg(lit.) |
| Schmelzpunkt | 29 - 30 °C31-33 °C(lit.) |
| Brechungsindex | 1.506-1.512n20/D 1.509(lit.) |
| Physical Description | SolidColourless liquidLily, rose sweetness aroma |
| Dampfdruck | 4.1hPa at 20℃ |
| FEMA | 3629 | 2-METHYL-4-PHENYL-2-BUTANOL |
| Flammpunkt | >230 °F |
| pKa (Säurekonstante) | 15.17±0.29(Predicted) |
| Aggregatzustand | powder to lump to clear liquid |
| Farbe | White or Colorless to Light yellow |
| Wichte | 0.966 |
| Geruch | at 100.00 %. clean fresh green rose linalool lily violet |
| Geruchsart | floral |
| JECFA Number | 1477 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMINGFRAGRANCE |
| InChI | 1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3 |
| InChIKey | YXVSKJDFNJFXAJ-UHFFFAOYSA-N |
| SMILES | CC(C)(O)CCc1ccccc1 |
| LogP (Verteilungskoeffizient) | 2.41 at 25℃ |
| CAS Datenbank | 103-05-9(CAS DataBase Reference) |
| EPA chemische Informationen | .alpha.,.alpha.-Dimethylbenzenepropanol (103-05-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 17.3% (311 of 1797) of reports.WarningH319 (79.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1797 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenepropanol, .alpha.,.alpha.-dimethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 06-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22583Benzenepropanol, .alpha.,.alpha.-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Eye Irrit. 2A (79.9%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29062990 |
| RTECS-Nr. | EL5785000 |
| R-Sätze (R) | 41 |
| Toxizität | LD50 orl-rat: 2200 mg/kg FCTXAV 12,517,74 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Dam. 1 |
Anwendungen & Verwendung
Beschreibung
2-Methyl-4-phenyl-2-butanol has a floral green, fruity, linalool character with a mildly herbaceous odor. May be prepared by reaction of phenylethyl magnesium chloride with acetone.
Occurrence
Has apparently not been reported to occur in nature.
Verwenden
2-Phenethyl-2-propanol is a useful reagent in preparation of phenyldimethylsilyl group as a masked hydroxy group.
Herstellung & Synthese
synthetische
By reaction of phenylethyl magnesium chloride with acetone