HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3681Erstellt: 27. Oktober 2026
Batilol
BATILOL · Batilolum · 1-O-OCTADECYL-RAC-GLYCEROL · 3-OCTADECYLOXY-1,2-PROPANEDIOL · ICCB 70985 · BATYL ALCOHOL · Alkoxy glycerol · DL-BATYL ALCOHOL
https://huagongshe.com/de/chemical/3681
Identifikatoren & physikalische Daten
| CAS No. | 544-62-7 |
|---|
| Summenformel | C21H44O3 |
|---|
| Durchschnittliche Molmasse | 344,6 g/mol |
|---|
| Monoisotopische Masse | 344,32904527 g/mol |
|---|
| SMILES | CCCCCCCCCCCCCCCCCCOCC(O)CO |
|---|
| InChIKey | OGBUMNBNEWYMNJ-UHFFFAOYSA-N |
|---|
| PubChem CID | 3681 |
|---|
| ChEMBL | CHEMBL1482516 |
|---|
| ChEBI | CHEBI:34117 |
|---|
| EC No. | 208-874-7 |
|---|
| DTXSID | DTXSID0047799 |
|---|
| Lokaler Name | Batilol |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 7,6 |
|---|
| Polarare Oberfläche (TPSA) | 49,7 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 20 |
|---|
| Schwere Atome | 24 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 221 |
|---|
| Stoffklassen | Other Classes -> Other Organic Compounds |
|---|
| Kosmetika | Cosmetic ingredients (Batyl Alcohol) -> CIR (Cosmetic Ingredient Review)Emollient |
|---|
| Physical Description | Glistening solid[Merck Index] White powder[MSDSonline] |
|---|
| Collision Cross Section | 202.8 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
|---|
| Schmelzpunkt | 71-73 °C (lit.) |
|---|
| Siedepunkt | 419.64°C (rough estimate) |
|---|
| Dichte | 0.9975 (rough estimate) |
|---|
| Dampfdruck | 0Pa at 25℃ |
|---|
| Brechungsindex | 1.5192 (estimate) |
|---|
| Lagerbedingungen | Sealed in dry,Room Temperature |
|---|
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly, Heated) |
|---|
| Aggregatzustand | Solid |
|---|
| pKa (Säurekonstante) | 13.68±0.20(Predicted) |
|---|
| Farbe | White to Off-White |
|---|
| Merck | 14,1011 |
|---|
| BRN | 1725677 |
|---|
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONINGEMULSION STABILISING |
|---|
| InChI | 1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3 |
|---|
| InChIKey | OGBUMNBNEWYMNJ-UHFFFAOYSA-N |
|---|
| SMILES | CCCCCCCCCCCCCCCCCCOCC(O)CO |
|---|
| LogP (Verteilungskoeffizient) | 7.8 at 25℃ |
|---|
| CAS Datenbank | 544-62-7(CAS DataBase Reference) |
|---|
| EPA chemische Informationen | 1,2-Propanediol, 3-(octadecyloxy)- (544-62-7) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH400 (66.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Regulatorische Informationen | Chemical: 3-(Octadecyloxy) 1,2 propanediolStatus: Active Update: 18-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/278221,2-Propanediol, 3-(octadecyloxy)-: 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. |
|---|
| Gefahrenübersicht | An irritant[MSDSonline] |
|---|
| Hazard Classes and Categories | Aquatic Acute 1 (66.7%) |
|---|
| Toxizitätsübersicht | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
| Zollcode | 29094990 |
|---|
| RTECS-Nr. | TZ0960000 |
|---|
| Sicherheitshinweise (S) | 22-24/25 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
