(2R)-but-3-yn-2-ol
Grundinformationen
- CAS
42969-65-3- Standard-SMILES
C#C[C@@H](C)O- InChIKey
GKPOMITUDGXOSB-SCSAIBSYSA-N- Summenformel
- C4H6O
- Durchschnittliche Molmasse
- 70,09 g/mol
- Monoisotopische Masse
- 70,04186481
Namen und Bezeichner
- Bevorzugter Name
- (2R)-but-3-yn-2-ol
- IUPAC
- (2R)-but-3-yn-2-ol
- Englischer Name
- (R)-(+)-3-Butyn-2-ol
- Summenformel
- C4H6O
- Molmasse
- 70.09
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
42969-65-3- PubChem CID
- 638102
- DTXSID
DTXSID70274155- EC Number
- 610-091-4
- Nikkaji
- J52.848J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 57
Physikochemische Eigenschaften
- Schmelzpunkt
- -22.07 °C · -22.07°C (estimate)
- Siedepunkt
- 108 · 108-111 °C (lit.)
- Dichte
- 0.89 g/mL · 0.89 g/mL at 25 °C (lit.)
- Brechungsindex
- 1.4235 · 1.4235-1.4255
- Flammpunkt
- 10 °C · 10°C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- Liquid
- pka
- 13.28 · 13.28±0.20(Predicted)
- Wichte
- 0.88 · 0.88
- Farbe
- Clear colorless to yellow
- BRN
- 3587272 · 3587272
- InChI
- InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m1/s1
- InChIKey
- GKPOMITUDGXOSB-SCSAIBSYSA-N
- SMILES
- C[C@@H](O)C#C
- CAS Datenbank
- 42969 · 42969-65-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids];H300 (89.1%): Fatal if swallowed [Danger Acute toxicity, oral];H301 (10.9%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (82.6%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (84.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H330 (91.3%): Fatal if inhaled [Danger Acute toxicity, inhalation];H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H351 (82.6%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P333+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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- ridadr
- 1986
- hs_code
- 29052900
- risk_code
- 11-23/24/25-36/37/38-28-24-43-41-40-26/28-10
- hazard_code
- F,T+
- safety_code
- 16-23-26-36/37/39-45-28A-24
- hazard_class
- 6.1
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 2 OralCarc. 2Eye Dam. 1Flam. Liq. 3Skin Irrit. 2Skin Sens. 1STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden(R)-(+)-3-Butyn-2-ol may be used as a starting material in the multi-step synthesis of (R)-benzyl 4-hydroxyl-2-pentynoate.
Anbieter100 Anbieter
Zugehörige Reaktionen
Notizen zur Verbindung
Wird geladen…