2-(2-Pyridyl)ethanol

2-(2-Hydroxyethyl)pyridine

HCID 7675CAS 103-74-2

Grundinformationen

Standard-SMILES
OCCc1ccccn1
InChIKey
BXGYBSJAZFGIPX-UHFFFAOYSA-N
Summenformel
C7H9NO
Durchschnittliche Molmasse
123,15 g/mol
Monoisotopische Masse
123,06841391

Überblick

2-Pyridylethanol is a member of pyridines.

Namen und Bezeichner

Bevorzugter Name
2-(2-Hydroxyethyl)pyridine
IUPAC
2-pyridin-2-ylethanol
Lokaler Name
2-(2-Pyridyl)ethanol
Englischer Name
2-(2-Hydroxyethyl)pyridine
Summenformel
C7H9NO
Molmasse
123.15

Namen und Synonyme

2-(2-Hydroxyethyl)pyridineRefChem:893582-PYRIDINEETHANOL103-74-22-(2-Pyridyl)ethanolPyridine-2-ethanol2-(Pyridin-2-Yl)Ethan-1-Ol2-pyridin-2-ylethanol2-Pyridylethanol2-(Pyridin-2-yl)ethanolBetahistine EP Impurity B2-(beta-Hydroxyethyl)pyridine
Weitere Namen anzeigen
2-ETHANOLPYRIDINEBetahistine Impurity B2-Pyridinethanol2-Pyridineethonl2-Pyridien ethanolP-nitrochlorobenzen
Pyridine, 2-(2-hydroxyethyl)-2-(2-Pyridinyl)ethanolUNII-4G94J9B8JRMFCD000063644G94J9B8JRDTXSID2044767NSC-21442-(.ALPHA.-PYRIDYL)ETHANOL

Datenbank-Bezeichner

CAS
103-74-2
PubChem CID
7675
DTXSID
DTXSID2044767
ChEMBL
CHEMBL3186451
ChEBI
CHEBI:230061
UNII
4G94J9B8JR
EC Number
203-140-2
Nikkaji
J28.225A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,1
Polarare Oberfläche (TPSA)
33,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyridines
LogP · 2 Einträge

log Kow= 0.12

0.12

Density1.091 @ 25 °C/0 °C
SolubilityVery soluble in alcohol, chloroform; slightly soluble in ether
Boiling Point190 °C @ 200 mm Hg; 170 °C @ 100 mm Hg
Melting Point-7.8 °C

Physikochemische Eigenschaften

Schmelzpunkt
-8 · -8--7°C
Siedepunkt
114 · 114-116 °C/9 mmHg (lit.)
Dichte
1.093 g/mL · 1.093 g/mL at 25 °C (lit.)
Dampfdruck
1.16 · 1.16-14.1Pa at 25℃
Brechungsindex
20 · n20/D 1.537(lit.)
Flammpunkt
199 °F · 199 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (50.5%): 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 91 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

2-Pyridineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyridineethanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 26-09-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/13451

Hazards SummaryEmergency treatment: Pyridine; Pyridine is an irritant that causes CNS depression after ingestion of 1/2 cup or inhalation of 6-12 ppm; It can cause liver and kidney injury; [HSDB] An irritant; [MSDSonline] See Pyridine.
Hazard Classes and CategoriesSkin Irrit. 2 (50.5%)
Skin, Eye, and Respiratory IrritationsPyridine and its derivatives cause local irritation on contact with the skin, mucous membranes and cornea. /Pyridine and its derivatives/

Sicherheit und Schutzausrüstung

Disposal Methods · 1 Eintrag

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Preventive Measures · 1 Eintrag

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

Personal Protective Equipment (PPE) · 3 Einträge

... WORKERS SHOULD BE PROVIDED WITH PERSONAL PROTECTIVE EQUIPMENT. A CHARCOAL GAS-MASK CANISTER RESPIRATOR HAS BEEN ... EFFECTIVE ... /PYRIDINE/

RUBBER & PLASTIC GLOVES SHOULD NOT BE RELIED UPON TO PREVENT SKIN CONTACT BECAUSE ... MANY ... /PYRIDINE/ DERIV PENETRATE THESE MATERIALS. /PYRIDINE/

Depending on the extent of possible contact, workers should be provided with personal protective equipment. A charcoal gas mask canister respirator has been found to be effective against a 2% pyridine concentration at 30 l/min for 1 hr. Rubber and plastic gloves should not be relied upon to prevent skin contact because pyridine and many of its derivatives penetrate these materials ... . /Pyridine, homologs, and derivatives/

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), a Koc value of 28(SRC), determined from a log Kow of 0.12(2) and a regression-derived equation(3), indicates that 2-pyridineethanol is expected to have very high mobility in soil(SRC). Volatilization of 2-pyridineethanol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.5X10-10 atm-cu m/mole(SRC). 2-Pyridineethanol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 7.0X10-5 mm Hg(SRC), determined from a fragment constant method(4).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 28(SRC), determined from a log Kow of 0.12(2) and a regression-derived equation(3), indicates that 2-pyridineethanol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 1.5X10-10 atm-cu m/mole(SRC). According to a classification scheme(4), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(5), suggests the potential for bioconcentration in aquatic organisms is low(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-pyridineethanol, which has an estimated vapor pressure of 7.0X10-5 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), will exist in both the vapor and particulate phases in the ambient atmosphere(SRC). Vapor-phase 2-pyridineethanol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 2.6 days(SRC), calculated from its rate constant of 6.2X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase 2-pyridineethanol may be removed from the air by wet and dry deposition(SRC).

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Soil Adsorption/Mobility · 1 Eintrag

The Koc of 2-pyridineethanol is estimated as 28(SRC), using a log Kow of 0.12(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-pyridineethanol is expected to have very high mobility in soil(SRC).

Fish/Seafood Concentrations2-Pyridineethanol was detected in adult Lake trout (Salvelinus namaycush) and/or walleye (Stizostediion v. vitreum) collected from Lake St Clair(1).
Artificial Pollution Sources2-Pyridineethanol's production and use in the manufacture of vinyl pyridines(1) may result in its release to the environment through various waste streams(SRC).
Environmental Bioconcentration · 1 Eintrag

An estimated BCF of 3 was calculated for 2-pyridineethanol(SRC), using a log Kow of 0.12(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

Sicherheitsdaten

F
3
wgk
2
tsca
TSCA listed
hs_code
29333999
RTECS-Nr.
UT2970450
risk_code
36/37/38

Chemie und Industrie

Pharmakologische Informationen

Absorption, Distribution and Excretion · 1 Eintrag

PYRIDINE & ITS ALKYL DERIVATIVES ARE ABSORBED FROM GI TRACT, INTRAPERITONEAL CAVITY & LUNGS. PERITONEAL ABSORPTION IS APPARENTLY ONLY SLIGHTLY MORE RAPID & COMPLETE THAN GI ABSORPTION ... IN GENERAL THE BASES ARE RAPIDLY ABSORBED THROUGH INTACT SKIN. /ALKYL DERIVATIVES OF PYRIDINE/

Verwendung und Herstellung

Uses · 2 Einträge

Used in the manufacturing of vinyl pyridines, thioridazine (psychotropic agent), and tiquizium bromide (antispasmodic); [HSDB]

Manufacture of vinyl pyridines; production of psychotropic agent, thioridazine, and the antispasmodic, tiquizium bromide.

U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
Methods of ManufacturingCondensation of 2- or 4-methylpyridine or 5-ethyl-2-methylpyridine with formaldehyde occurs on heating to yield ... 2-(2-hydroxyethyl)pyridine.
General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

2-Pyridineethanol: ACTIVE

Anwendungen · 1 Eintrag

Verwenden2-(2-Hydroxyethyl)pyridine is a metabolite of the anti-vertigo drug Betahistine. It acts as a reagent for protection of the 5'-phosphate of nucleotides as 2-pyridylethyl (Pet) esters. It is used for carboxyl protection of amino acids. It is also used to cleave such groups as Boc and Fmoc, and also to hydrogenolysis. It was used to prepare mononuclear nickel(II) acetate.

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