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3-Methyl-1-pentin-3-ol
BDH · methylpentynol · 3-Methylpent-1-yn-3-ol · UTIL · Seral · Dalgol · Comesa · Olosot
Identifikatoren & physikalische Daten
| CAS No. | 77-75-8 |
|---|---|
| Summenformel | C6H10O |
| Durchschnittliche Molmasse | 98,14 g/mol |
| Monoisotopische Masse | 98,07316494 g/mol |
| SMILES | C#CC(C)(O)CC |
| InChIKey | QXLPXWSKPNOQLE-UHFFFAOYSA-N |
| PubChem CID | 6494 |
| ChEMBL | CHEMBL501613 |
| ChEBI | CHEBI:134752 |
| EC No. | 201-055-5 |
| DTXSID | DTXSID5021756 |
| Lokaler Name | 3-Methyl-1-pentin-3-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 98 |
| Arzneimittel | DEA NFLIS-Drug Category -> Depressants and TranquilizersPharmaceuticals -> Hypnotics |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| Dampfdruck | 5.25 [mmHg]6.5 mm Hg ( 20 °C) |
| Physical Description | Liquid with an acrid odor[Merck Index] Clear slightly yellow liquid[Acros Organics MSDS] |
| Schmelzpunkt | -30 °C |
| Siedepunkt | 121-122 °C(lit.) |
| Dichte | 0.866 g/mL at 25 °C(lit.) |
| Dampfdichte | 3 (vs air) |
| Brechungsindex | n20/D 1.431(lit.) |
| Flammpunkt | 80 °F |
| Lagerbedingungen | Flammables area |
| Löslichkeit | Cellosolve: miscible |
| pKa (Säurekonstante) | 13.34±0.29(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Explosionsgrenze | 1.8-16.0%(V) |
| Merck | 13,5870 |
| BRN | 969340 |
| Henry-Konstante | 9.9×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| CAS Datenbank | 77-75-8(CAS DataBase Reference) |
| NIST chemische Informationen | Meparfynol(77-75-8) |
| EPA chemische Informationen | 3-Methyl-1-pentyn-3-ol (77-75-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P273, P280, P301+P317, P303+P361+P353, P305+P351+P338, P305+P354+P338, P317, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 170 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Pentyn-3-ol, 3-methyl-Status: Active Update: 07-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/110713-Methyl-1-pentyn-3-ol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes somnolence and convulsions in subcutaneous lethal-dose studies of mice[RTECS] May cause serious eye injuryHarmful by ingestion[ECHA REACH Registrations] May cause irritation and CNS depression[Acros Organics MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1986 3/PG 3 |
| Zollcode | 29280090 |
| RTECS-Nr. | SC4900000 |
| R-Sätze (R) | 10-22-51/53-2017/10/22 |
| Toxizität | LD50 orally in mice, rats, guinea pigs: 600-900 mg/kg (Margolin) |
| Gefahrensymbole | Xn,F+ |
| Sicherheitshinweise (S) | 23-36-61 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Stabilizer in chlorinated solvents, viscousreducer, electroplating brightener, intermediate insyntheses of hypnotics and isoprenoid chemicals,solvent for polyamide resins, acid inhibitor, preven-tion of hydrogen embrittlement, medicine (soporificand anesthetic).