3-(Oxan-4-yl)propan-1-ol

HCID 22272891

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Grundinformationen

CAS: 428871-03-8
Standard-SMILES: OCCCC1CCOCC1
InChIKey: FGWQPRUQOJWITB-UHFFFAOYSA-N
Summenformel: C8H16O2
Durchschnittliche Molmasse: 144,21 g/mol
Monoisotopische Masse: 144,11502975

Namen und Bezeichner

Bevorzugter Name: 3-(Oxan-4-yl)propan-1-ol
IUPAC: 3-(oxan-4-yl)propan-1-ol
Englischer Name: 3-(Tetrahydro-2H-pyran-4-yl)propan-1-ol
Summenformel: C8H16O2
Molmasse: 144.21

Namen und Synonyme

3-(oxan-4-yl)propan-1-ol428871-03-8DTXSID70624151RefChem:275774DTXCID70574905842-909-23-(tetrahydro-2H-pyran-4-yl)propan-1-ol2H-Pyran-4-propanol, tetrahydro-SCHEMBL968476SCHEMBL4492568FGWQPRUQOJWITB-UHFFFAOYSA-N3-tetrahydropyran-4-ylpropan-1-ol

Weitere Namen anzeigen

tetrahydro-2H-Pyran-4-propanol

DSA87103AKOS011898263AT288173-(tetrahydro-pyran-4-yl)-propan-1-olDA-059093-(tetrahydro-2H-pyran-4-yl)-1-propanolEN300-189390F520695

Datenbank-Bezeichner

CAS: 428871-03-8
PubChem CID: 22272891
DTXSID: DTXSID70624151
EC Number: 842-909-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 10
Formalladung: 0
Komplexität: 77

Physikochemische Eigenschaften

Siedepunkt: 143 · 143-145 °C(Press: 20 Torr)
Dichte: 0.967 · 0.967±0.06 g/cm3(Predicted)
pka: 15.14 · 15.14±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.