Tetrahydrofuran-3-ol

3-Furanol, tetrahydro-

HCID 9960CAS 453-20-3

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Grundinformationen

Standard-SMILES: OC1CCOC1
InChIKey: XDPCNPCKDGQBAN-UHFFFAOYSA-N
Summenformel: C4H8O2
Durchschnittliche Molmasse: 88,11 g/mol
Monoisotopische Masse: 88,0524295

Namen und Bezeichner

Bevorzugter Name: 3-Furanol, tetrahydro-
IUPAC: oxolan-3-ol
Lokaler Name: Tetrahydrofuran-3-ol
Englischer Name: 3-Hydroxytetrahydrofuran
Summenformel: C4H8O2
Molmasse: 88.11

Namen und Synonyme

Tetrahydrofuran-3-ol3-Furanol, tetrahydro-Tetrahydro-3-furanol3-HydroxyoxolaneEINECS 207-219-2NSC 71875BRN 0102545AI3-28120DTXSID208689475-17-03-00064 (Beilstein Handbook Reference)3HydroxyoxolaneTetrahydrofuran3ol

Weitere Namen anzeigen

tetrahydro-3-furano-Hydroxytetrahydrofuran3-HYDROXYTETRAHYDRAFURAN3-Hydroxytetrahydrofurane3-Hydroxytetrahydrofuran>

3Furanol, tetrahydro3hydroxytetrahydrofuranRefChem:502115DTXCID10817000207-219-23-HYDROXYTETRAHYDROFURAN453-20-3oxolan-3-ol

Datenbank-Bezeichner

CAS: 453-20-3
PubChem CID: 9960
DTXSID: DTXSID20868947
ChEMBL: CHEMBL2287517
UNII: 4MA8Z6Y28L
EC Number: 207-219-2
Nikkaji: J196.153E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,4
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 44,8

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Alcohols and Polyols, Other

Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 25 °C · 25°C
Siedepunkt: 181 °C · 181 °C (lit.)
Dichte: 1.09 g/mL · 1.09 g/mL at 25 °C (lit.)
Dampfdruck: 760 mm · 760 mm Hg ( 181 °C)
Brechungsindex: 20 · n20/D 1.45(lit.)
Flammpunkt: 178 °F · 178 °F
storage temp.: Sealed in dry,Room Temperature
pka: 14.49 · 14.49±0.20(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to yellow
Wichte: 1.09 · 1.090
Wasserlöslichkeit: 500 g/L · 500g/L(room temperature)
Stabilität: Stable. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides.
InChI: 1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2
InChIKey: XDPCNPCKDGQBAN-UHFFFAOYSA-N
SMILES: OC1CCOC1
LogP: -0.83 · -0.830 (est)
CAS Datenbank: 453 · 453-20-3(CAS DataBase Reference)
NIST chemische Informationen: 3 · Tetrahydrofuran, 3-hydroxy-(453-20-3)
EPA chemische Informationen: 3 · 3-Furanol, tetrahydro- (453-20-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (13.3%): Causes skin irritation [Warning Skin corrosion/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 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryCauses convulsions and ataxia in intravenous lethal-dose studies of mice (LD50 = 3,850 mg/kg); [RTECS] An eye and mild skin irritant; [Sigma-Aldrich MSDS] See Furfuryl alcohol.

Hazard Classes and CategoriesSkin Irrit. 2 (13.3%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29321900
RTECS-Nr.: LU3450050
risk_code: 36/37/38-19
hazard_code: Xi
safety_code: 26-36-37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information3-Furanol, tetrahydro-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden3-Hydroxytetrahydrofuran features two distinct hydrogen bonding sites. The compound serves as a theoretical model for nucleotide ring conformations and is used in spectroscopic studies, including Fourier transform microwave analysis of its water complex isotopomers[5][6]. For spectroscopic characterization, the material is incorporated into supersonic expansions after warming to 50 °C[5].