HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methylbut-3-en-1-ol
3-Methylbut-3-en-1-ol · isoprenol · 3-Buten-1-ol, 3-methyl- · 3-methyl-3-butenol · 3-METHYL-3-BUTENE-1-OL · 2-Methyl-1-buten-4-ol · Methyl-3-but-3-en-1-ol · -3-buten-1-oL
Identifikatoren & physikalische Daten
| CAS No. | 763-32-6 |
|---|---|
| Summenformel | C5H10O |
| Durchschnittliche Molmasse | 86,13 g/mol |
| Monoisotopische Masse | 86,07316494 g/mol |
| SMILES | C=C(C)CCO |
| InChIKey | CPJRRXSHAYUTGL-UHFFFAOYSA-N |
| PubChem CID | 12988 |
| ChEMBL | CHEMBL3561140 |
| ChEBI | CHEBI:62898 |
| EC No. | 212-110-8 |
| DTXSID | DTXSID4052506 |
| Lokaler Name | 3-Methylbut-3-en-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 47,9 |
| Lipide | Fatty Acyls [FA] -> Fatty alcohols [FA05] |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (3-Methylbut-3-en-1-ol) -> IFRA transparency List |
| Pestizide | Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Not approved |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | 170 g/L @ 20 °C (exp)90g/l77.9g/L at 20℃ |
| Siedepunkt | 130.00 °C. @ 760.00 mm Hg130-132 °C (lit.) |
| Dampfdruck | 20.0 [mmHg]4hPa at 20℃ |
| Physical Description | LiquidColorless liquid[Acros Organics MSDS] |
| Schmelzpunkt | 36.29°C |
| Dichte | 0.853 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.433(lit.) |
| Flammpunkt | 97 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
| pKa (Säurekonstante) | 14.92±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| Wichte | 0.853 |
| Geruch | sweet fruity |
| Biologische Quelle | synthetic |
| Explosionsgrenze | 3.0-9.3%(V) |
| BRN | 1071239 |
| Stabilität | Stable. Flammable. Incompatible with strong oxidizing agents. |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3 |
| InChIKey | CPJRRXSHAYUTGL-UHFFFAOYSA-N |
| SMILES | CC(=C)CCO |
| LogP (Verteilungskoeffizient) | 0.89 at 25℃ |
| CAS Datenbank | 763-32-6(CAS DataBase Reference) |
| EPA chemische Informationen | 3-Buten-1-ol, 3-methyl- (763-32-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P319, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 471 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 3-Buten-1-ol, 3-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)3-Buten-1-ol, 3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Buten-1-ol, 3-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)2007/442Status: Active Update: 02-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/132023-Methyl-3-buten-1-ol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | No mortalities observed in rats exposed to saturated atmosphere at 20 degrees C for 8 hoursCauses eye but no skin irritation in rabbits[IUCLID] Causes changes in urine composition and decreased immune response in 90-day intermittent inhalation studies of rats[RTECS] Safe when used as a flavoring agent in food[EFSA] May cause serious eye injury[ECHA REACH Registrations] A eye irritant[Acros Organics MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode | 29052900 |
| RTECS-Nr. | EM9473100 |
| R-Sätze (R) | 10-36/37/38-41-36 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 16-26-36-39-24 |
| Gefahrenklasse | 3Eye Dam. 1Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Methyl-3-buten-1-ol was used to study the rate coefficient for the gas-phase reaction of OH radical with 3-methyl-3-buten-1-ol.