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2-Methylbutanol-2
TERT-AMYL ALCOHOL · T-AMYL ALCOHOL · 2-METHYLBUTAN-2-OL · tAmOH · t-amyl · AMYLENE HYDRATE · 2-methyl-2-butano · TERT-PENTANOL

Identifikatoren & physikalische Daten
| CAS No. | 75-85-4 |
|---|---|
| Summenformel | C5H12O |
| Durchschnittliche Molmasse | 88,15 g/mol |
| Monoisotopische Masse | 88,088815 g/mol |
| SMILES | CCC(C)(C)O |
| InChIKey | MSXVEPNJUHWQHW-UHFFFAOYSA-N |
| PubChem CID | 6405 |
| ChEMBL | CHEMBL44658 |
| ChEBI | CHEBI:132750 |
| EC No. | 200-908-9 |
| DTXSID | DTXSID0041436 |
| Lokaler Name | 2-Methylbutanol-2 |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 39,2 |
| Stoffklassen | Flammable agents - 3rd degreeVolatile Organic Compound (VOC) |
| Solvents | Solvents -> Alcohols (<C12) |
| pH | Solution neutral to litmus6.0 (118g/l, H2O, 20℃)neutral |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (2-Methyl-2-butanol) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | log Kow = 0.89 |
| Geruch | Characteristic odorCamphor odor |
| Geschmack | Burning taste |
| Dichte | 0.8096 at 20 °C/4 °C0.805 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Viscosity | 3.79 centipoise at 25 °C |
| Color/Form | Colorless liquid |
| Schmelzpunkt | -12 °C |
| Siedepunkt | 102 °C(lit.) |
| Dampfdichte | 3 (vs air) |
| Dampfdruck | 15.5 hPa (20 °C) |
| Brechungsindex | n20/D 1.405(lit.) |
| Flammpunkt | 20 °C |
| Lagerbedingungen | Store at +5°C to +30°C. |
| Löslichkeit | Miscible with alcohol, ether, benzene, chloroform, glycerol, oils and acetone.120 g/L (20 ºC) |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 15.38±0.29(Predicted) |
| Farbe | Clear colorless |
| Geruch | pungent |
| Geruchsschwelle | 0.088ppm |
| Explosionsgrenze | 1.3-9.6%(V) |
| Spezifische Wärmekapazität | Cp(liquid): 2.8 J/(g·K), at 25℃ |
| Merck | 14,7140 |
| BRN | 1361351 |
| Henry-Konstante | 6.5×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielektrizitätskonstante | 11.7(20℃) |
| Stabilität | Light sensitive. Highly flammable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3 |
| InChIKey | MSXVEPNJUHWQHW-UHFFFAOYSA-N |
| SMILES | CCC(C)(C)O |
| LogP (Verteilungskoeffizient) | 0.890 |
| Oberflächenspannung | 24.04mN/m at 293.15K |
| CAS Datenbank | 75-85-4(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Butanol, 2-methyl-(75-85-4) |
| EPA chemische Informationen | 2-Methyl-2-butanol (75-85-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 1.8% (11 of 610) of reports.H225 (98.2%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: 2-Butanol, 2-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Butanol, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butanol, 2-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)Status: Active Update: 13-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/100402-Methylbutan-2-ol: Does not have an individual approval but may be used under an appropriate group standardThe 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.) |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Brandpotenzial | FLAMMABLE, DANGEROUS FIRE RISK. |
| Gesundheitsgefahren | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Gefahrenübersicht | Dangerous fire risk[Hawley] A skin, eye, and respiratory tract irritantInhalation of high concentrations may cause CNS effects[HSDB] An irritantInhalation of high concentrations can cause CNS depression[MSDSonline] |
| Reaktive Gruppe | Alcohols and Polyols |
Anwendungen & Verwendung
Verwenden
2-Methyl-2-butanol is used as a solvent in flavors, pharmaceuticals, corrosion inhibitors, resins, gums, coating materials and in organic synthesis. It acts as a frothing agent (ore flotation), surfactant (petroleum recovery) and stabilizing agent. Further, it is used in processing aids.