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2,4-Dimethylcyclohex-3-en-1-carbaldehyd
LIGUSTRAL · 2,4-Dimethylcyclohex-3-ene-1-carbaldehyde · 2,4-DIMETHYL-3-CYCLOHEXEN-1-CARBOXALDEHYDE · Vergustral · 2,4-Dimethylcyclohex-3-en-1-carbaldehyd · 2,4-dimethyl-3-Cyclohexene-1-carboxaldehyde · Acroval · Hivertal
Identifikatoren & physikalische Daten
| CAS No. | 68039-49-6 |
|---|---|
| Summenformel | C9H14O |
| Durchschnittliche Molmasse | 138,21 g/mol |
| Monoisotopische Masse | 138,10446507 g/mol |
| SMILES | CC1=CC(C)C(C=O)CC1 |
| InChIKey | MZZRKEIUNOYYDF-UHFFFAOYSA-N |
| PubChem CID | 93375 |
| ChEMBL | CHEMBL3185383 |
| EC No. | 268-264-1 |
| DTXSID | DTXSID5044574 |
| Lokaler Name | 2,4-Dimethylcyclohex-3-en-1-carbaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 158 |
| Kosmetika | Tonic |
| Duftstoffe | Fragrance Ingredient (2,4-Dimethyl-3-cyclohexen-1-carboxaldehyde) -> IFRA transparency ListFragrance Ingredient (Dimethylcyclohex-3-ene-1-carbaldehyde (isomer mixture)) -> IFRA transparency List |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | LiquidDry PowderCBI |
| Schmelzpunkt | 85-90 °C |
| Siedepunkt | 196 °C(lit.) |
| Dichte | 0.933 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.473(lit.) |
| Flammpunkt | 151 °F |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Geruch | at 10.00 % in dipropylene glycol. green aldehydic leafy cortex tart floral peely |
| Geruchsart | green |
| Kosmetik-Inhaltsstoffe Funktionen | TONICPERFUMINGFRAGRANCE |
| LogP (Verteilungskoeffizient) | 2.67 |
| EPA chemische Informationen | 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl- (68039-49-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317: 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)This chemical does not meet GHS hazard criteria for 0.2% (4 of 2481) of reports.H315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation] |
|---|---|
| Regulatorische Informationen | Chemical: 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-Chemical: 3-Cyclohexene-1-carboxaldehyde, 2,4(or 3,5)-dimethyl-3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standardDimethylcyclohex-3-ene-1-carbaldehyde: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (99.8%)Skin Sens. 1B |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 2912.29.6090 |
Anwendungen & Verwendung
Verwenden
2,4-Dimethyl-3-cyclohexenecarboxaldehyde is used in method for improving performance of fragrance or its mixture.