(2R)-pent-4-en-2-ol

HCID 6999724CAS 64584-92-5

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Grundinformationen

Standard-SMILES: C=CC[C@@H](C)O
InChIKey: ZHZCYWWNFQUZOR-RXMQYKEDSA-N
Summenformel: C5H10O
Durchschnittliche Molmasse: 86,13 g/mol
Monoisotopische Masse: 86,07316494

Namen und Bezeichner

Bevorzugter Name: (2R)-pent-4-en-2-ol
IUPAC: (2R)-pent-4-en-2-ol
Englischer Name: (R)-(-)-PENTEN-2-OL
Summenformel: C5H10O
Molmasse: 86.13

Namen und Synonyme

64584-92-5(2R)-pent-4-en-2-olRefChem:397442625-307-2(R)-(-)-4-Penten-2-ol(2R)-4-penten-2-ol(r)-pent-4-en-2-ol(R)-2-Hydroxypent-4-eneMFCD03701536(R)-2-Hydroxy-4-pentene4-Penten-2-ol, (2R)-(R)-4-penten-2-ol

Weitere Namen anzeigen

(R)-(—)-4-Penten-2-ol(R)-4-pentene-2-ol(R)-(-)-PENTEN-2-OL(2R)-4-Pentene-2-ol(2R)-4-pentylene-2-ol(1R)-1-Methyl-3-butene-1-ol

(R)-(-)-pent-4-en-2-ol4-penten-2(R)-olA834817(2R)-4- penten-2-olSCHEMBL578574SCHEMBL22206098SCHEMBL29854799(R)-(?)-4-Penten-2-ol

Datenbank-Bezeichner

CAS: 64584-92-5
PubChem CID: 6999724
EC Number: 625-307-2
Nikkaji: J53.104I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 41

Physikochemische Eigenschaften

Siedepunkt: 115 · 115-116 °C(lit.)
Dichte: 0.837 g/mL · 0.837 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4240(lit.)
Flammpunkt: 78 °F · 78 °F
pka: 15.1 · 15.10±0.20(Predicted)
Wasserlöslichkeit: 4.526 mg/L · Soluble in water, 4.526 mg/L @ 25°C.
InChI: 1S/C5H10O/c1-3-4-5(2)6/h3,5-6H,1,4H2,2H3/t5-/m1/s1
InChIKey: ZHZCYWWNFQUZOR-RXMQYKEDSA-N
SMILES: C[C@@H](O)CC=C
LogP: 0.905 · 0.905 (est)
CAS Datenbank: 64584 · 64584-92-5

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.；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

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1987 3/PG 3
hs_code: 2914290090
risk_code: 10
hazard_code: H226
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3

Chemie und Industrie

Anwendungen

Verwenden(R)-(-)-4-Penten-2-ol is a reactant in the synthesis of aigialomycin D and its analogs that inhibits protein kinases related to cancer pathways.