3-Hydroxy-2-hydroxymethyl-6-methylpyridin

3-Hydroxy-2-hydroxymethyl-6-methylpyridine

HCID 135128CAS 42097-42-7

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Grundinformationen

Standard-SMILES: Cc1ccc(O)c(CO)n1
InChIKey: PAGTXDLKXRBHFL-UHFFFAOYSA-N
Summenformel: C7H9NO2
Durchschnittliche Molmasse: 139,15 g/mol
Monoisotopische Masse: 139,06332853

Überblick

2-(Hydroxymethyl)-6-methylpyridin-3-ol is a member of methylpyridines.

Namen und Bezeichner

Bevorzugter Name: 3-Hydroxy-2-hydroxymethyl-6-methylpyridine
IUPAC: 2-(hydroxymethyl)-6-methylpyridin-3-ol
Lokaler Name: 3-Hydroxy-2-hydroxymethyl-6-methylpyridin
Englischer Name: 3-Hydroxy-6-methyl-2-pyridinemethanol
Summenformel: C7H9NO2
Molmasse: 139.15

Namen und Synonyme

42097-42-73-Hydroxy-6-methyl-2-pyridinemethanol3-Hydroxy-2-hydroxymethyl-6-methylpyridine53GWV75WPC2-Pyridinemethanol, 3-hydroxy-6-methyl-EINECS 255-657-8DTXSID80194931RefChem:502330DTXCID20117422255-657-82-(hydroxymethyl)-6-methylpyridin-3-olMFCD00006350

Weitere Namen anzeigen

2,6-LUTIDINE-ALPHA2,3-DIOLTIMTEC-BB SBB0041772,6-Lutidine-α,3-diol2,6-lutidine-α2,3-diol2,6-Lutidine-α2,3-diol2,6-Lutidine-alpha2,3-diol,99%2,6-LUTIDINE-ALPHA-2,3-DIOL 99%2,6-lutidine-alpha(sup 2),3-diol6-methyl-2-methylol-pyridin-3-ol

2-Hydroxymethyl-6-methyl-pyridin-3-ol2-(hydroxymethyl)-6-methyl-3-pyridinol2-(hydroxymethyl)-6-methyl-pyridin-3-ol3-Hydroxy-6-methyl3-Hydroxy-6-methyl-2-pyridine methanolUNII-53GWV75WPCOprea1_5207802,6-Lutidine-?2,3-diol

Datenbank-Bezeichner

CAS: 42097-42-7
PubChem CID: 135128
DTXSID: DTXSID80194931
ChEMBL: CHEMBL1579537
ChEBI: CHEBI:194822
UNII: 53GWV75WPC
EC Number: 255-657-8
Nikkaji: J278.330D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 53,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 108

Experimentelle und physikochemische Eigenschaften

Solubility>20.9 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 157 · 157-159 °C(lit.)
Siedepunkt: 255.1 °C · 255.1°C (rough estimate)
Dichte: 1.1997 · 1.1997 (rough estimate)
Brechungsindex: 1.48 · 1.4800 (estimate)
storage temp.: Inert atmosphere,Room Temperature
pka: 13.79 · 13.79±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Beige to light brown
InChI: 1S/C7H9NO2/c1-5-2-3-7(10)6(4-9)8-5/h2-3,9-10H,4H2,1H3
InChIKey: PAGTXDLKXRBHFL-UHFFFAOYSA-N
SMILES: Cc1ccc(O)c(CO)n1
CAS Datenbank: 42097 · 42097-42-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29333999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,6-Lutidine-α2,3-diol (3-Hydroxy-6-methyl-2-pyridinemethanol) was used in the synthesis of: (3-hydroxy-6-methylpyridin-2-yl)methyl pivaloatetriflate(3-(allyloxy)-6-methylpyridin-2-yl)methanol