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2-Isopropoxy-ethanol
ISOPROPYL GLYCOL · Ucar AC · Ethanol, 2-(1-methylethoxy)- · Ethylene glycol monoisopropyl · ETHYLENE GLYCOL MONOISOPROPYL ETHER · isopropoxyethanol · 2-(1-methylethoxy)-Ethanol · ucarac

Identifikatoren & physikalische Daten
| CAS No. | 109-59-1 |
|---|---|
| Summenformel | C5H12O2 |
| Durchschnittliche Molmasse | 104,15 g/mol |
| Monoisotopische Masse | 104,08372962 g/mol |
| SMILES | CC(C)OCCO |
| InChIKey | HCGFUIQPSOCUHI-UHFFFAOYSA-N |
| PubChem CID | 7996 |
| ChEMBL | CHEMBL3187409 |
| EC No. | 203-685-6 |
| DTXSID | DTXSID4047466 |
| Lokaler Name | 2-Isopropoxy-ethanol |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 35,1 |
| Stoffklassen | Flammable agents - 2nd degree |
| Solvents | Solvents -> Glycol Ethers (E Series) |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 0.05 |
| Geruch | MILD ETHEREAL ODORMild, ethereal odor. |
| Geschmack | BITTER TASTE |
| Dichte | 0.91 (USCG, 1999) - Less dense than waterwill float0.9030 @ 20 °C/4 °CRelative density (water = 1): 0.903 (20 °C)0.903 g/mL at 25 °C(lit.) |
| Color/Form | COLORLESS LIQUIDColorless liquid. |
| Löslichkeit | Miscible (NIOSH, 2024)SOL IN ALL PROP IN WATER, ALC, ETHERSOL IN ACETONESolubility in water, g/100ml at 25 °C: 100>100g/l solubleIt is soluble in water. |
| Flammpunkt | 91.4 °F (USCG, 1999)33 °C92 °F (33 °C) OC44 °C c.c.(oc) 92 °F114 °F |
| Siedepunkt | 285.8 °F at 760 mmHg (USCG, 1999)144 °C @ 743 MM HGat 99kPa: 139.5-144.5 °C283 °F42-44 °C13 mm Hg(lit.) |
| Schmelzpunkt | -60 °C |
| Dampfdruck | 5.99 hPa (25 °C) |
| Brechungsindex | n20/D 1.41(lit.) |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | 14.47±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Colorless to Almost colorless |
| Explosionsgrenze | 1.6-13.0%(V) |
| BRN | 1732184 |
| Henry-Konstante | 4.8×100 mol/(m3Pa) at 25℃, Johanson and Dynésius (1988) |
| Stabilität | Stable. Incompatible with strong oxidizing agents. Combustible. |
| InChI | 1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3 |
| InChIKey | HCGFUIQPSOCUHI-UHFFFAOYSA-N |
| SMILES | CC(C)OCCO |
| LogP (Verteilungskoeffizient) | 0.43 at 20℃ |
| CAS Datenbank | 109-59-1(CAS DataBase Reference) |
| EPA chemische Informationen | Isopropoxyethanol (109-59-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH312: Harmful in contact with skin [Warning Acute toxicity, dermal]P261, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P321, P337+P317, P362+P364, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.2% (1 of 648) of reports.H226 (41.7%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: Ethanol, 2-(1-methylethoxy)-Status: Active Update: 07-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12659Ethanol, 2-(1-methylethoxy)-: HSNO Approval: HSR001158 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Weitere Sicherheitsinformationen | IMAP assessments - 2-(1-methylethoxy)ethanol and its acetate: Human health tier II assessment |
| DOT-Kennzeichnung | Poison Flammable Liquid |
| Brandgefahren | Special Hazards of Combustion Products: Emits toxic fumes when heated upon decomposition. (USCG, 1999)Flammable. Above 44 °C explosive vapour/air mixtures may be formed. |
| Brandpotenzial | MODERATECAN REACT WITH OXIDIZING MATERIALS |
| Gesundheitsgefahren | May be harmful by inhalation, ingestion or skin absorption. May cause skin and eye irritation. (USCG, 1999) |
| Gefahrenübersicht | Osmotic fragility of rat erythrocytes markedly increased at exposures of 200 ppm[ACGIH] Inhalation of high concentrations can cause CNS depression[HSDB] May cause skin and eye irritation[CAMEO] See Glycol ethers. |
| Reaktive Gruppe | Alcohols and Polyols |
| EG-Einstufung | Symbol: XnR: 20/21-36 |
Anwendungen & Verwendung
Verwenden
2-Isopropoxyethanol was used to study the products of the gas-phase reactions of OH radical with n-butyl methyl ether and 2-isopropoxyethanol in the presence of NO. 2-Isopropoxyethanol was used to develop methodology for evaluating electromagnetic sensor performance in nonrelaxing and nonconducting (e.g., sandy soil) media