HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methyl-3-buten-2-ol
2-Methylbut-3-en-2-ol · 3-Buten-2-ol, 2-methyl- · Methylbutenol · 2-METHYL-3-BUTENE-2-OL · 2-methylbut-3-en · 1,1-DIMETHYLALLYL ALCOHOL · 3-HYDROXY-3-METHYL-1-BUTENE · 2-Methyl-3-buten-2-ol, 97% 250ML
Identifikatoren & physikalische Daten
| CAS No. | 115-18-4 |
|---|---|
| Summenformel | C5H10O |
| Durchschnittliche Molmasse | 86,13 g/mol |
| Monoisotopische Masse | 86,07316494 g/mol |
| SMILES | C=CC(C)(C)O |
| InChIKey | HNVRRHSXBLFLIG-UHFFFAOYSA-N |
| PubChem CID | 8257 |
| ChEMBL | CHEMBL4245903 |
| ChEBI | CHEBI:132752 |
| EC No. | 204-068-4 |
| DTXSID | DTXSID3047471 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 55 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (2-Methyl-3-buten-2-ol) -> IFRA transparency List |
| Pestizide | Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Not approved |
| LogP (Verteilungskoeffizient) | 0.66 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.824 (USCG, 1999) - Less dense than waterwill float0.8 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.060.824 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | 1000 mg/mLSolubility in water, g/100ml at 20 °C: 19 (good) |
| Flammpunkt | 56 °F (USCG, 1999)10 °C c.c. |
| Siedepunkt | 208.4 to 210.2 °F at 760 mmHg (USCG, 1999)97.00 to 99.00 °C. @ 760.00 mm Hg97 °C98-99 °C (lit.) |
| Schmelzpunkt | -28 °C-43 °C |
| Dampfdruck | 51 mm Hg ( 25 °C) |
| Brechungsindex | n20/D 1.416(lit.) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 14.56±0.29(Predicted) |
| Farbe | Clear colorless to very slightly yellow |
| Geruch | at 10.00 % in dipropylene glycol. herbal earthy oily |
| pH | 9-10 (100g/l, H2O, 20℃) |
| Explosionsgrenze | 1.5-9.4%(V) |
| Geruchsart | herbal |
| Biologische Quelle | synthetic |
| BRN | 1698263 |
| Henry-Konstante | 6.4×10-1 mol/(m3Pa) at 25℃, Iraci et al. (1999) |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3 |
| InChIKey | HNVRRHSXBLFLIG-UHFFFAOYSA-N |
| SMILES | CC(C)(O)C=C |
| LogP (Verteilungskoeffizient) | 0.66 at 25℃ |
| CAS Datenbank | 115-18-4(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Buten-2-ol, 2-methyl-(115-18-4) |
| EPA chemische Informationen | 2-Methyl-3-buten-2-ol (115-18-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.3% (22 of 1724) of reports.DangerH225 (98.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1724 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 3-Buten-2-ol, 2-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2007/442Status: Active Update: 25-06-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/117012-Methyl-3-buten-2-ol: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flash back. (USCG, 1999)Highly flammable. Heating will cause rise in pressure with risk of bursting. Vapour/air mixtures are explosive. |
| Gesundheitsgefahren | Harmful if inhaled or swallowed. Material is irritating to mucous membrane and upper respiratory tract. (USCG, 1999) |
| Gefahrenübersicht | An eye but not skin irritant in rabbitsNot a skin sensitizer in guinea pig maximization test[IUCLID] Causes degenerative changes to brain, liver changes, changes in liver and kidney weights, and effects on transaminases in repeated-dose oral studies of rats[RTECS] A mucous membrane and upper respiratory tract irritantMay cause smarting and reddening of skin if spilled and allowed to remain on clothesHigh vapor concentrations may cause mild smarting of eyes and respiratory system[CHRIS] An eye irritant[ICSC] May cause mild skin irritationA strong eye irritant |
Anwendungen & Verwendung
Verwenden
2-Methyl-3-buten-2-ol was used to study the kinetics of the gas-phase reaction of OH radicals with 3-methyl-2-butenal.