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2-Pyridineethanol

2-Pyridineethanol structure

2-Pyridineethanol 

structure
  • CAS No:

    103-74-2

  • Formula:

    C7H9NO

  • Chemical Name:

    2-Pyridineethanol

  • Synonyms:

    2-Pyridineethanol;2-(2-Hydroxyethyl)pyridine;2-Pyridylethanol;2-(2-Pyridyl)ethanol;2-(β-Hydroxyethyl)pyridine;2-(α-Pyridyl)ethanol;β-(2-Pyridyl)ethanol;2-(2-Pyridyl)ethyl alcohol;2-(2-Pyridinyl)ethanol;NSC 2144;NSC 77979;2-(2-Hydroxylethyl)pyridine;2-(Pyridin-2-yl)ethan-1-ol

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Description

clear yellow to brown liquid


Liquid

2-Pyridineethanol Basic Attributes

123.15

123.15

111205

203-140-2

4G94J9B8JR

77979|2144

DTXSID2044767

29333999

Characteristics

33.1

0.1

Clear yellow to brown Liquid

1.091 g/cm3 @ Temp: 25 °C

-7.8 °C

170 °C @ Press: 100 Torr

199 °F

n 20/D 1.537(lit.)

H2O: soluble ;soluble in Chloroform (Slightly), Methanol (Slightly).

Store below +30°C.

pKa = 5.31 (conjugate acid)

HYGROSCOPIC

Safety Information

2

36/37/38

26-36-24/25

UT2970450

Xi

P261-P305 + P351 + P338

H315-H319-H335

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.

|Warning|H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 92 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

... 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/

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.

Pyridine and its derivatives cause local irritation on contact with the skin, mucous membranes and cornea. /Pyridine and its derivatives/

Toxicity

2-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).

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).

The rate constant for the vapor-phase reaction of 2-pyridineethanol with photochemically-produced hydroxyl radicals has been estimated as 6.2x10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 2.6 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 2-Pyridineethanol is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(2). Pyridine has a weak absorption band that extends into the environmental UV spectrum, which suggests that direct photolysis is not likely to be an important fate process for 2-pyridineethanol (SRC).

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).

28.18 L/kg|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).

The Henry's Law constant for 2-pyridine ethanol is estimated as 1.5x10-10 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2-pyridineethanol is expected to be essentially nonvolatile from water surfaces(2). 2-Pyridineethanol is not expected to volatilize from dry soil surfaces based upon an estimated vapor pressure of 7.0X10-5 mm Hg(SRC).

SURFACE WATER: 2-Pyridineethanol was detected in water sampled from the central basin of Lake Ontario(1).

Occupational exposure to 2-pyridineethanol may occur by dermal contact with this compound at workplaces where 2-pyridineethanol is produced or used. (SRC)

Drug Information

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/

/SRP:/ Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aromatic hydrocarbons and related compounds/|/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious or in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias if necessary ... Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aromatic hydrocarbons and related compounds/

2-(2-hydroxyethyl)pyridine

2-Pyridineethanol Use and Manufacturing

Methods of Manufacturing

From 2-methylpyridine and formaldehyde by addition reaction. Add formaldehyde and 2-methylpyridine into the reaction pot, pass nitrogen gas, stir and heat to 125℃, the pressure is about 0.4MPa, after 20h of reaction, perform vacuum distillation, collect 130-145℃ (2.13kPa) fractions, 2-(2-hydroxyethyl)pyridine.

Uses

2-Pyridineethanol is a metabolite of the anti-vertigo drug Betahistine (B324000).


Intermediates

All other basic organic chemical manufacturing|2-Pyridineethanol: ACTIVE

ANALYTE: PYRIDINE. MATRIX: AIR. PROCEDURE: ADSORPTION ON CHARCOAL, DESORPTION WITH METHYLENE CHLORIDE, GAS CHROMATOGRAPHY. RANGE: 7.59-30.4 MG/CU M. PRECISION: 0.059. SAMPLE SIZE: 100 LITERS. /PYRIDINE/

Computed Properties

Molecular Weight:123.15
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:123.068413911
Monoisotopic Mass:123.068413911
Topological Polar Surface Area:33.1
Heavy Atom Count:9
Complexity:75.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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