HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 108312Erstellt: 27. Oktober 2026
Phenylisohexanol
PHENOXANOL · MEFROSOL · PHENOXAL · 3-METHYL-5-PHENYLPENTANOL · PHENYLISOHEXANOL · 3-METHYL-5-PHENYL · Methylfluoromethanol · rose absolute pentanol
https://huagongshe.com/de/chemical/108312
Identifikatoren & physikalische Daten
| CAS No. | 55066-48-3 |
|---|
| Summenformel | C12H18O |
|---|
| Durchschnittliche Molmasse | 178,27 g/mol |
|---|
| Monoisotopische Masse | 178,13576519 g/mol |
|---|
| SMILES | CC(CCO)CCc1ccccc1 |
|---|
| InChIKey | OXYRENDGHPGWKV-UHFFFAOYSA-N |
|---|
| PubChem CID | 108312 |
|---|
| ChEMBL | CHEMBL3185293 |
|---|
| EC No. | 259-461-3 |
|---|
| DTXSID | DTXSID4044822 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|
| Polarare Oberfläche (TPSA) | 20,2 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 5 |
|---|
| Schwere Atome | 13 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 116 |
|---|
| Kosmetika | Masking |
|---|
| Duftstoffe | Fragrance Ingredient (3-Methyl-5-phenylpentanol) -> IFRA transparency List |
|---|
| Endocrine Disruptors | Potential endocrine disrupting compound |
|---|
| Physical Description | CBILiquid |
|---|
| Siedepunkt | 141-143 °C(Press: 11 Torr) |
|---|
| Dichte | 0.957±0.06 g/cm3(Predicted) |
|---|
| Dampfdruck | 0.04Pa at 20℃ |
|---|
| pKa (Säurekonstante) | 15.11±0.10(Predicted) |
|---|
| Geruch | at 100.00 %. fresh floral rose absolute geranium green muguet lily honey tropical |
|---|
| Geruchsart | floral |
|---|
| Löslichkeit | 390mg/L at 20℃ |
|---|
| Kosmetik-Inhaltsstoffe Funktionen | FRAGRANCE |
|---|
| LogP (Verteilungskoeffizient) | 2.7 at 30℃ |
|---|
| EPA chemische Informationen | Benzenepentanol, .gamma.-methyl- (55066-48-3) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1869) of reports.DangerH302 (87.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1869 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Regulatorische Informationen | Chemical: Benzenepentanol, .gamma.-methyl-Benzenepentanol, .gamma.-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepentanol, .gamma.-methyl- 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)REACH registered substance: 3-methyl-5-phenylpentanol (EC: 259-461-3)Benzenepentanol, .gamma.-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (87.7%) |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
| R-Sätze (R) | 36 |
|---|
| Gefahrensymbole | Xi |
|---|
| Sicherheitshinweise (S) | 26 |
|---|
