Pent-4-en-1-ol

4-Penten-1-OL

HCID 13181CAS 821-09-0

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Grundinformationen

Standard-SMILES: C=CCCCO
InChIKey: LQAVWYMTUMSFBE-UHFFFAOYSA-N
Summenformel: C5H10O
Durchschnittliche Molmasse: 86,13 g/mol
Monoisotopische Masse: 86,07316494

Überblick

4-pentenol has been reported in Brassica napus and Brassica rapa with data available.

Namen und Bezeichner

Bevorzugter Name: 4-Penten-1-OL
IUPAC: pent-4-en-1-ol
Lokaler Name: Pent-4-en-1-ol
Englischer Name: 4-Penten-1-ol
Summenformel: C5H10O
Molmasse: 86.13

Namen und Synonyme

4-PENTEN-1-OLPent-4-en-1-ol821-09-04-PentenolW0558TQC6FNSC-97503DTXSID30231562RefChem:100293DTXCID60154053212-473-24-Pentenyl alcohol2-Allylethyl alcohol

Weitere Namen anzeigen

PentenolPenten-14-Buten-1-olNSC 975034-penten-1-0l4-pentan-1-ol

5-hydroxy-1-penteneMFCD000029754-Pentene-1-ol4-Pentenol-1UNII-W0558TQC6F5-Hydroxy-1-pentene; 4-Pentenyl Alcohol; 4-Pentenol; NSC 97503;4-penten-1ol4penten-1-ol

Datenbank-Bezeichner

CAS: 821-09-0
PubChem CID: 13181
DTXSID: DTXSID30231562
UNII: W0558TQC6F
EC Number: 212-473-2
Nikkaji: J105H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 6
Formalladung: 0
Komplexität: 32,9

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesSchoenflies notation

Flavoring AgentsEU Flavoring substances

Vapor Pressure3.06 [mmHg]

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 14.19 °C · 14.19°C (estimate)
Siedepunkt: 134 · 134-137 °C (lit.)
Dichte: 0.834 g/mL · 0.834 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.429(lit.)
Flammpunkt: 110 °F · 110 °F
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: 57 g/l · 57g/l (experimental)
pka: 15.13 · 15.13±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless
Wichte: 0.83 · 0.83
Wasserlöslichkeit: 57 g/L · Solubility in water: 57 g/L (25°C)
BRN: 1560163 · 1560163
InChI: 1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2
InChIKey: LQAVWYMTUMSFBE-UHFFFAOYSA-N
SMILES: OCCCC=C
LogP: 0.776 · 0.776 (est)
CAS Datenbank: 821 · 821-09-0(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Penten-1-ol(821-09-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 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 47 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

4-Penten-1-ol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySafe when used as a flavoring agent in food; [EFSA] May cause irritation; [Sigma-Aldrich MSDS]

Peroxide Forming Chemical · 4 Einträge

4-Penten-1-ol

B: Compounds that form peroxides on concentration (distillation/evaporation)

1 samples, 20 ppm Peroxide; > 1 yr

Kelly

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

Sicherheitsdaten

wgk: 3
ridadr: UN 1987 3/PG 3
hs_code: 29052990
risk_code: 10-37-20
hazard_code: Xn
safety_code: 23-24/25-16
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as a flavoring agent; [EFSA]

Anwendungen

Verwenden4-Penten-1-ol is a reagent used in carbohydrate chemistry for n-Pentenyl Glycoside methodology for the rapid assembly of homoglycans exemplified with the nonasaccharide component of a high-mannose glycoprotein.