HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p,α-Dimethylstyrol
Benzene, 1-methyl-4-(1-methylethenyl)- · p-cymenene · 1-Methyl-4-(prop-1-en-2-yl)benzene · Dehydro-p-cymene · p-Mentha-1,3,5,8-tetraene · 4-ISOPROPENYLTOLUENE · FEMA 3144 · 1-Isopropenyl-4-methylbenzene
Identifikatoren & physikalische Daten
| CAS No. | 1195-32-0 |
|---|---|
| Summenformel | C10H12 |
| Durchschnittliche Molmasse | 132,2 g/mol |
| Monoisotopische Masse | 132,09390038 g/mol |
| SMILES | C=C(C)c1ccc(C)cc1 |
| InChIKey | MMSLOZQEMPDGPI-UHFFFAOYSA-N |
| PubChem CID | 62385 |
| ChEBI | CHEBI:89920 |
| EC No. | 214-795-9 |
| DTXSID | DTXSID7047564 |
| Lokaler Name | p,α-Dimethylstyrol |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 116 |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (p,alpha-Dimethylstyrene) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.846-0.8540.904 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Insoluble in watersoluble in oilsSoluble (in ethanol)Chloroform (Slightly), Methanol (Slightly)Insoluble in water, soluble in alcohol, miscible with oils. |
| Siedepunkt | 186.00 to 189.00 °C. @ 760.00 mm Hg186-189 °C186-189 °C(lit.) |
| Schmelzpunkt | -20 °C−28 °C(lit.) |
| Brechungsindex | 1.532-1.535n20/D 1.535(lit.) |
| Physical Description | LiquidColourless mobile liquidcitrusy-lemon like aroma |
| FEMA | 3144 | P,ALPHA-DIMETHYLSTYRENE |
| Flammpunkt | 144 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Wichte | 0.85 |
| Geruch | at 0.10 % in dipropylene glycol. phenolic spicy styrene clove guaiacol |
| Geruchsart | phenolic |
| Biologische Quelle | synthetic |
| JECFA Number | 1333 |
| Stabilität | Light Sensitive |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3 |
| InChIKey | MMSLOZQEMPDGPI-UHFFFAOYSA-N |
| SMILES | CC(=C)c1ccc(C)cc1 |
| LogP (Verteilungskoeffizient) | 3.71 |
| CAS Datenbank | 1195-32-0(CAS DataBase Reference) |
| NIST chemische Informationen | 4-CH3C6H4C(CH3)CH2(1195-32-0) |
| EPA chemische Informationen | p,.alpha.-Dimethylstyrene (1195-32-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 7.1% (104 of 1465) of reports.DangerH304 (88.9%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]P301+P316, P331, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1465 reports by companies from 14 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1-methyl-4-(1-methylethenyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzene, 1-methyl-4-(1-methylethenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Asp. Tox. 1 (88.9%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29029090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Occurrence
Reported found in pepper, coffee, anise and parsley
Verwenden
α, p-dimethylstyrene has been suggested for use in perfume compositions, mainly as a component in certain artificial essential oils. In Lemon fragrances for industrial masking purposes it may introduce lift, power and freshness.
Herstellung & Synthese
synthetische
By passing a stream of p-cymene and water vapors over activated aluminum oxide at 730°C.