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Butan-1,2-diol
butane-1,2-diol · 1,2-Butanediol,98% · NSC 24242 · BDO Liquid · 1,2-BUTANEDIOL · DL-1,2-Butanediol · 1,2-Butanediol >BDO 1,2-BUTANEDIOL · 1,2-DIHYDROXYBUTANE
Identifikatoren & physikalische Daten
| CAS No. | 584-03-2 |
|---|---|
| Summenformel | C4H10O2 |
| Durchschnittliche Molmasse | 90,12 g/mol |
| Monoisotopische Masse | 90,06807956 g/mol |
| SMILES | CCC(O)CO |
| InChIKey | BMRWNKZVCUKKSR-UHFFFAOYSA-N |
| PubChem CID | 11429 |
| ChEBI | CHEBI:52682 |
| EC No. | 209-527-2 |
| DTXSID | DTXSID6040375 |
| Lokaler Name | Butan-1,2-diol |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 28,7 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| Kosmetika | Cosmetic ingredients (1,2-Butanediol) -> CIR (Cosmetic Ingredient Review) |
| LogP (Verteilungskoeffizient) | -0.34 (20 °C) |
| Dichte | 1.0023 @ 20 °CRelative density (water = 1): 1.011.006 g/mL at 25 °C (lit.) |
| Viscosity | Dynamic viscosity @ 20 °C is 7.3 mPa.s7.3 mm²/s at 20 °C |
| Color/Form | CLEAR VISCOUS LIQUID |
| Löslichkeit | SPECIFIC OPTICAL ROTATION: -7.4 DEG AT 22 °C/D (ALCOHOL, 4%)SOL IN WATER, ALCOHOL & ACETONE /L-FORM/Miscible with water in all proportions, readily soluble in alcohols, slightly soluble in ethers and esters, and insoluble in hydrocarbons.Solubility in water: miscible100-1000g/L at 25℃ |
| Flammpunkt | 90 °C40 °C (104 °F) (CLOSED CUP)93 °C c.c.200 °F |
| Siedepunkt | 195-196.9 °C194 °C191-192 °C/747 mmHg (lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Schmelzpunkt | -50 °C-114 °C |
| Dampfdichte | 3.1 (AIR= 1)Relative vapor density (air = 1): 3.1 |
| Dampfdruck | 10-2130Pa at 20℃ |
| Brechungsindex | n20/D 1.438(lit.) |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 14.49±0.20(Predicted) |
| Farbe | Colorless to Light yellow |
| BRN | 969169 |
| Henry-Konstante | 2.1×103 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| Kosmetik-Inhaltsstoffe Funktionen | SOLVENTSKIN CONDITIONINGHUMECTANTVISCOSITY CONTROLLING |
| InChI | 1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3 |
| InChIKey | BMRWNKZVCUKKSR-UHFFFAOYSA-N |
| SMILES | CCC(O)CO |
| LogP (Verteilungskoeffizient) | -0.34-0.3 at 25℃ |
| CAS Datenbank | 584-03-2(CAS DataBase Reference) |
| EPA chemische Informationen | 1,2-Butanediol (584-03-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25.3% (39 of 154) of reports.WarningH319 (74.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 154 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-Butanediol1,2-Butanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Butanediol 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: 09-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/230641,2-Butanediol: 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. |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| Brandgefahren | Combustible. Above 93 °C explosive vapour/air mixtures may be formed. |
| Brandpotenzial | Moderate, when exposed to heat or flame. |
| Gefahrenübersicht | An eye irritantHigh-level exposure could cause CNS depression and kidney injury[ICSC] May cause irritation[MSDSonline] |
| UN-Einstufung | UN Hazard Class: 3UN Pack Group: III |
| EPA Safer Chemical | Chemical: 1,2-Butanediol |
| Chemical Dangers | Decomposes on heating. Reacts vigorously with strong oxidants, reducing agents, acids and acid anhydrides. |
| NFPA Hazard Classification | 1 - Materials that, under emergency conditions, can cause significant irritation. |
Anwendungen & Verwendung
Verwenden
1,2-Butanediol was used in the synthesis of (R)-2-hydroxybutyric acid.