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1,1-Dimethyl-3-phenylpropylacetat
FEMA 2735 · narcissus acetate · PHENYLETHYL3,3-DIMETHYLACRYLATE · 2-methyl-4-phenyl-2-butylacetate · 2-methyl-4-phenyl-2-butanoacetate · 1,1-Dimethyl-3-phenylpropylacetat · Dimethylphenethylcarbinol acetate · DIMETHYLPHENYLETHYL-CARBINYLACETAT
Identifikatoren & physikalische Daten
| CAS No. | 103-07-1 |
|---|---|
| Summenformel | C13H18O2 |
| Durchschnittliche Molmasse | 206,28 g/mol |
| Monoisotopische Masse | 206,13067982 g/mol |
| SMILES | CC(=O)OC(C)(C)CCc1ccccc1 |
| InChIKey | ZXFNOEJFYLQUSB-UHFFFAOYSA-N |
| PubChem CID | 7633 |
| EC No. | 203-077-0 |
| DTXSID | DTXSID6051518 |
| Lokaler Name | 1,1-Dimethyl-3-phenylpropylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 203 |
| Duftstoffe | Fragrance Ingredient (2-Methyl-4-phenyl-2-butyl acetate) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.986-0.990 (15 °C) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Soluble in oilsInsoluble in waterSoluble (in ethanol) |
| Siedepunkt | 243.00 to 244.00 °C. @ 760.00 mm Hg244 °C286℃ |
| Brechungsindex | 1.488-1.4901.4860 (estimate) |
| Physical Description | Colourless liquidJasmine and hyacinth-like aroma with a slight rosey undertone |
| FEMA | 2735 | 2-METHYL-4-PHENYL-2-BUTYL ACETATE |
| Flammpunkt | 111℃ |
| Geruch | at 100.00 %. deep rose green narcissus leafy sweet balsamic floral |
| Geruchsart | floral |
| JECFA Number | 1460 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 3.57 |
| EPA chemische Informationen | Benzenepropanol, .alpha.,.alpha.-dimethyl-, acetate (103-07-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 86.1% (235 of 273) of all reports.WarningH317 (13.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 273 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenepropanol, .alpha.,.alpha.-dimethyl-, acetateCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzenepropanol, .alpha.,.alpha.-dimethyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzenepropanol, .alpha.,.alpha.-dimethyl-, acetate: Environment tier I assessment |
| Hazard Classes and Categories | Skin Sens. 1 (13.9%) |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Beschreibung
2-Methyl-4-phenyl-2-butyl acetate has a jasmine and hyacinth-like odor with a slightly rose undertone.