(Oxan-4-yl)methanol

HCID 2773573CAS 14774-37-9

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Grundinformationen

Standard-SMILES: OCC1CCOCC1
InChIKey: YSNVSVCWTBLLRW-UHFFFAOYSA-N
Summenformel: C6H12O2
Durchschnittliche Molmasse: 116,16 g/mol
Monoisotopische Masse: 116,08372962

Namen und Bezeichner

Bevorzugter Name: (Oxan-4-yl)methanol
IUPAC: oxan-4-ylmethanol
Englischer Name: (Tetrahydro-2H-pyran-4-yl)methanol
Summenformel: C6H12O2
Molmasse: 116.16

Namen und Synonyme

(tetrahydro-2H-pyran-4-yl)methanol(Oxan-4-yl)methanolRefChem:406772604-599-514774-37-9Tetrahydropyran-4-methanoloxan-4-ylmethanol4-(Hydroxymethyl)tetrahydropyran(Tetrahydro-pyran-4-yl)-methanol2H-PYRAN-4-METHANOL, TETRAHYDRO-MFCD00457804tetrahydro-2H-pyran-4-ylmethanol

Weitere Namen anzeigen

15N]-Ammonium ChlorideTetrahydropyran-4-MethanoTERTAHYDROPYRAN-4-METHANOL4-(Hydroxymethyl)tetrahyd...4-(Hydroxymethyl)tetrahydropyrTetrahydropyran-4-methanol?New

tetrahydropyran-4-ylmethanol4-HYDROXYMETHYLTETRAHYDROPYRANSCHEMBL104405Tetrahydro-2-H-pyran-4-ylmethanoltetrahydro-2H-pyran-4-yl-methanol4-(hydroxylmethyl)tetrahydro-2H-pyranPS-3348(tetrahydro-2H-pyran-4-yl) methanol

Datenbank-Bezeichner

CAS: 14774-37-9
PubChem CID: 2773573
DTXSID: DTXSID90378563
EC Number: 604-599-5
Nikkaji: J2.486.867B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 57,5

Physikochemische Eigenschaften

Siedepunkt: 105 °C · 105 °C
Dichte: 1 · 1.000±0.06 g/cm3(Predicted)
Flammpunkt: 61 ° · 61°(142°F)
Brechungsindex: 1.46 · 1.4600
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
pka: 14.85 · 14.85±0.10(Predicted)
Farbe: Colorless to Light yellow to Light orange
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C6H12O2/c7-5-6-1-3-8-4-2-6/h6-7H,1-5H2
InChIKey: YSNVSVCWTBLLRW-UHFFFAOYSA-N
SMILES: C1OCCC(CO)C1
CAS Datenbank: 14774 · 14774-37-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Danger

H314 (20%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1A (20%)

Sicherheitsdaten

hs_code: 29329990
risk_code: 36/37/38-22-41-37/38
hazard_code: Xi,Xn
safety_code: 26-36/37/39-23-39
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenUsed as a reagent in the identification and optimization of pteridinone Toll-like receptor 7 agonists, which can be used for the oral treatment of viral hepatitis. 4-(Hydroxymethyl)tetrahydropyran is also a starting material for [1-[(Tetrahydro-2H-pyran-4-yl)methyl]-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone which is a drug that acts as CB2 cannabinoid receptor agonist.