But-3-in-1-ol
3-Butyn-1-OL
Grundinformationen
- CAS
927-74-2- Standard-SMILES
C#CCCO- InChIKey
OTJZCIYGRUNXTP-UHFFFAOYSA-N- Summenformel
- C4H6O
- Durchschnittliche Molmasse
- 70,09 g/mol
- Monoisotopische Masse
- 70,04186481
Überblick
But-3-yn-1-ol is a terminal acetylenic compound that is but-1-yne with one of the methyl hydrogens substituted by a hydroxy group. It is a member of butyn-1-ols and a terminal acetylenic compound.
Namen und Bezeichner
- Bevorzugter Name
- 3-Butyn-1-OL
- IUPAC
- but-3-yn-1-ol
- Lokaler Name
- But-3-in-1-ol
- Englischer Name
- 3-Butyn-1-ol
- Summenformel
- C4H6O
- Molmasse
- 70.09
Namen und Synonyme
3-BUTYN-1-OL927-74-2But-3-yn-1-ol3-Butynol3-Butynyl alcohol1-Butyn-4-ol4-Hydroxy-1-butyneNSC-9708DTXSID1022136P74L430293CHEBI:27444RefChem:93308
Weitere Namen anzeigen
3-Bytyn-1-olButyn-1-ol3-butyn-1-0l
DTXCID702136213-161-93-Butyne-1-ol2-Hydroxyethylacetylenehomopropargyl alcohol(2-Hydroxyethyl)acetylene4-hydroxy-butyneMFCD00002955
Datenbank-Bezeichner
- CAS
927-74-2- PubChem CID
- 13566
- DTXSID
DTXSID1022136- ChEBI
CHEBI:27444- UNII
- P74L430293
- EC Number
- 213-161-9
- Nikkaji
- J1.744B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 47,9
Experimentelle und physikochemische Eigenschaften
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -63.6 °C · -63.6 °C (lit.)
- Siedepunkt
- 128.9 °C · 128.9 °C (lit.)
- Dichte
- 0.926 g/mL · 0.926 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.441(lit.)
- Flammpunkt
- 97 °F · 97 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Miscible with alcohols and organic solvents. Immiscible with aliphatic hydrocarbon solvents.
- Aggregatzustand
- Liquid
- pka
- 14.22 · 14.22±0.10(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: But-3-yn-1-ol (EC: 213-161-9)
3-Butyn-1-ol: 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.
Hazards SummaryIntravenous LD50 (mouse) = 100 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1986 3/PG 3
- hs_code
- 29052990
- RTECS-Nr.
- ES0710000
- risk_code
- 10-36/37/38
- hazard_code
- Xi,F
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information3-Butyn-1-ol: ACTIVE
Anwendungen
Verwenden(3-Butyn-1-ol) Alkynyl substrate used in a study of a palladium-catalyzed coupling with β-tetrionic acid bromide leading to alkynyl substituted furanones in good yield.1
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: A terminal acetylenic compound that is but-1-yne with one of the methyl hydrogens substituted by a hydroxy group.
Zugehörige Reaktionen
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Notizen zur Verbindung
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