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Decan-1,2-diol
decane-1,2-diol · AI3-16595 · 2-Decanediol · 1，2-decyldiol · Decan-1,2-diol · 1,2-DECANEDIOL · 1,2-Decandiol, 98% · 1,2-Decanediol >1,2-Decanediol 98%
Identifikatoren & physikalische Daten
| CAS No. | 1119-86-4 |
|---|---|
| Summenformel | C10H22O2 |
| Durchschnittliche Molmasse | 174,28 g/mol |
| Monoisotopische Masse | 174,16197994 g/mol |
| SMILES | CCCCCCCCC(O)CO |
| InChIKey | YSRSBDQINUMTIF-UHFFFAOYSA-N |
| PubChem CID | 79141 |
| ChEBI | CHEBI:143858 |
| EC No. | 214-288-2 |
| DTXSID | DTXSID601009388 |
| Lokaler Name | Decan-1,2-diol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 83,9 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| Kosmetika | Cosmetic ingredients (Decylene Glycol) -> CIR (Cosmetic Ingredient Review) |
| Physical Description | Hygroscopic solid[Acros Organics MSDS] |
| Schmelzpunkt | 48-50 °C (lit.) |
| Siedepunkt | 255 °C (lit.) |
| Dichte | 0.9418 (rough estimate) |
| Dampfdruck | 0.004Pa at 20℃ |
| Brechungsindex | 1.4561 (estimate) |
| Flammpunkt | 113 °C |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)579mg/L at 20℃ |
| pKa (Säurekonstante) | 14.48±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChI | InChI=1S/C10H22O2/c1-2-3-4-5-6-7-8-10(12)9-11/h10-12H,2-9H2,1H3 |
| InChIKey | YSRSBDQINUMTIF-UHFFFAOYSA-N |
| SMILES | C(O)C(O)CCCCCCCC |
| LogP (Verteilungskoeffizient) | 1.99 at 22.4℃ |
| CAS Datenbank | 1119-86-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.4% (3 of 125) of reports.DangerH318 (96.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 125 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-DecanediolStatus: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/176151,2-Decanediol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritation[Acros Organics MSDS] See 1-Decanol. |
| Hazard Classes and Categories | Eye Dam. 1 (96.8%) |
| 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) | 2 |
| Zollcode | 29053995 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
1,2-Decanediol is a 1,2-alkanediol that is used as an antimicrobial agent in cosmetics. It also suppresses the fluidity of the hydrophilic and hydrophobic groups in the phospholipid membrane of liposomes. Preparation of 1-decene by deoxygenation of 1,2-decanediol with formic acid. It is used to Synthesis of EDOT-C8.