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パラアルデヒド

Paraldehyde

HCID 31264
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
123-63-7
標準SMILES
CC1OC(C)OC(C)O1
InChIKey
SQYNKIJPMDEDEG-UHFFFAOYSA-N
分子式
C6H12O3
平均分子量
132.16 g/mol
単同位体質量
132.07864424

概要

Paraldehyde appears as a clear colorless liquid with a pleasant odor. Flash point 96 °F. Melting point 54 °F. Less dense than water. Vapors are heavier than air.

名称と識別子

優先名称
Paraldehyde
IUPAC
2,4,6-trimethyl-1,3,5-trioxane
現地名
パラアルデヒド
英語名
Paraldehyde
分子式
C6H12O3
分子量
132.16

名称と別名

PARALDEHYDE2,4,6-Trimethyl-1,3,5-trioxane123-63-7ParacetaldehydeParalParaldehydParaacetaldehydeTriacetaldehydeElaldehydeParaldeidep-Acetaldehyde1,3,5-Trioxane, 2,4,6-trimethyl-
名称をさらに表示
パラアルデヒドパルアルデヒドアセトアルデヒドトリマーパラールパラルデヒドパラアセトアルデヒドパラル2,4,6-トリメチル-1,3,5-トリオキサン2,4,6-トリメチル-s-トリオキサン1,3,5-トリメチル-2,4,6-トリオキサンアルデヒド (パラ)アルデヒドトリマーアルデヒドアルデヒド基ALDEHYDEETHYL ALDEHYDEACETIC ALDEHYDEFEMA 2003trimeric acetaldehydePcho
Acetaldehyde, trimer1,3,5-Trimethyl-2,4,6-trioxane2,4,6-Trimethyl-1,3,5-trioxacyclohexaneDTXSID9023419Paraldehyde Enema (BPC 1973)Paraldehyde (USP)Paraldehyde Draught (BPC 1973)2,4,6-Trimethyl-1,3,5-trioxaan

データベース識別子

CAS
123-63-7、1499-02-1
PubChem CID
31264
DTXSID
DTXSID9023419
ChEMBL
CHEMBL1410743
ChEBI
CHEBI:27909
UNII
S6M3YBG8QA
EC Number
204-639-8
Nikkaji
J5.543C

物性

構造計算による物性補完中

XLogP
0.7
極性表面積
27.7 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
0
重原子数
9
形式電荷
0
複雑度
63.3

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Aldehydes

Flammable agents - 3rd degree

Drugs · 4 件

DEA NFLIS-Drug Category -> Depressants and Tranquilizers

DEA Schedule IV Controlled Substance -> Depressants

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals -> Antiepileptics

SpringerMaterials PropertiesSchoenflies notation
FragrancesFragrance Ingredient (Paraldehyde) -> IFRA transparency List
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP · 4 件

Log Kow = 0.67

0.67

0.67

0.67

Odor · 2 件

CHARACTERISTIC AROMATIC ODOR

Agreeable odor

Taste · 2 件

DISAGREEABLE TASTE

Burning taste

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1566) of reports.

Warning

H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]

危険有害性情報

Regulatory Information · 6 件

Chemical: 1,3,5-Trioxane, 2,4,6-trimethyl-

DEA schedule IV controlled substance

SP - indicates a substance that is identified in a proposed Significant New Use Rule.

REACH registered substance: 2,4,6-trimethyl-1,3,5-trioxane (EC: 204-639-8)

1,3,5-Trioxane, 2,4,6-trimethyl-: HSNO Approval: HSR001209 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid
Fire Hazards · 3 件

Special Hazards of Combustion Products: Emits toxic fumes on heating.

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Highly flammable. Above 24 °C explosive vapour/air mixtures may be formed.

Fire Potential · 2 件

DANGEROUS, WHEN EXPOSED TO HEAT, FLAME OR OXIDIZERS.

FLAMMABLE LIQUID.

Health Hazards · 2 件

INHALATION AND INGESTION: Irritation, headache, bronchitis, pulmonary edema. Irritating to digestive tract. Hypnotic and analgesic properties. Incoordination and drowsiness, followed by sleep. Larger doses-coma-weak pulse and shallow respiration, cyanosis-death from respiratory paralysis. EYES: irritation-can cause serious injury. SKIN: Dermatitis (skin inflammation). (USCG, 1999)

化学と産業

薬理情報

ATC Code · 2 件

N - Nervous system

QN - Nervous system

PharmacodynamicsParaldehyde blocks neuromuscular transmission.
Mechanism of Action · 2 件

Paraldehyde is believed to reduce the release of acetylcholine in response to neuronal depolarization. The exact mechanism of this effect is unknown.

BELIEVED TO DEPRESS MANY LEVELS OF CNS INCLUDING ASCENDING RETICULAR ACTIVATING SYSTEM TO CAUSE IMBALANCE BETWEEN INHIBITORY & FACILITATORY MECHANISMS.

Biological Half-Life · 2 件

The mean half life is 7.5 hours in a range if 3.5-9.5 hours.

The biological half-life of paraldehyde /in humans/ has been reported to be 3.5 to 9.5 hours with an average of about 7.5 hours.

Metabolism/Metabolites · 2 件

Paraldehyde is believed to undergo depolymerization to acetaldehyde followed by oxidation by aldehyde dehydrogenase. It is thought to ultimately be metabolized to carbon dioxide and water.

It is believed that paraldehyde is depolymerized to acetaldehyde in the liver & then oxidized by aldehyde dehydrogenase to acetic acid, which is ultimately metabolized to carbon dioxide & water.

MeSH Pharmacological Classification · 2 件

Drugs used to prevent SEIZURES or reduce their severity.

Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.

Absorption, Distribution and Excretion · 6 件

93% of orally administered paraldehyde is absorbed from the gastrointestinal tract.

70-80% is metabolized to carbon dioxide and subsequently exhaled. 11-28% is exhaled as the parent compound. 0.1-2.5% is excreted in the urine as the parent compound.

Paraldehyde is rapidly absorbed from ... IM injection sites. Maximum serum concn, which may range from 34 to 150 ug/ml, are reached within 20-60 minutes following oral admin of 10 ml ... or IM admin of 0.25 ml/kg. ... Although tissue distribution ... has not been extensively studied, it is known that the concn ... in CSF is about 25 to 30% lower than that in the blood. Maximum paraldehyde concn are reached in the CSF 30-60 minutes after oral or IM admin ...

関連反応

57 件
反応記録を作成
HRID 35275 の反応式
HRID 35275反応物としてuspto-grants-1988_08
HRID 85365 の反応式
HRID 85365反応物としてuspto-grants-2014_09
HRID 119220 の反応式
HRID 119220反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 231280 の反応式
HRID 231280反応物としてuspto-grants-1989_07
HRID 320300 の反応式
HRID 320300反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 347618 の反応式
HRID 347618反応物としてuspto-grants-2007_02
HRID 363832 の反応式
HRID 363832反応物としてuspto-grants-1999_02
HRID 496093 の反応式
HRID 496093反応物としてuspto-grants-2005_09
1 / 8 ページ

化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
Density · 5 件

0.9943 at 68 °F (USCG, 1999) - Less dense than water; will float

0.9923 @ 20 °C/4 °C

SPECIFIC HEAT 0.434; BULK DENSITY 8.27 LB/GAL (20 °C)

0.99 g/cm³

0.9943 @ 20°C

Flavoring AgentsEU Flavoring substances
Viscosity1.128 centipoise at 70 °F

物理化学的性質

融点
12 °C · 12 °C
沸点
65 · 65-82 °C
比重(密度)
0.994 g/mL · 0.994 g/mL at 20 °C (lit.)
蒸気密度
1.52 · 1.52 (vs air)
蒸気圧
25.89 psi · 25.89 psi ( 55 °C)
屈折率
20 · n20/D 1.39
FEMA
4010 · 4010 | PARALDEHYDE
闪点
30 °F · 30 °F
貯蔵温度
2 · 2-8°C
溶解性
120 g/リットル · 120g/リットル
酸解離定数(Pka)
16 · 16(at 25℃)
外見
解決
色
無色の液体
比重
0.994 · 0.994
臭い (Odor)
不快な味、芳香臭
爆発限界(explosive limit)
1.3 · 1.3-17.0%(V)
水溶解度
125 g/L · 125g/L(25℃)
JECFA Number
2299 · 2299
Merck
13 · 13,7098
BRN
80142 · 80142
Henry's Law Constant
5.8 · 5.8×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant
14.5 · 14.5(20℃)
安定性
安定。可燃性。強力な酸化剤、鉱酸とは相容れない。
InChI
1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChIKey
SQYNKIJPMDEDEG-UHFFFAOYSA-N
SMILES
CC1OC(C)OC(C)O1
LogP
0.67 · 0.670
CAS データベース
123 · 123-63-7(CAS DataBase Reference)
NISTの化学物質情報
Paraldehyde(123-63-7)
EPAの化学物質情報
Paraldehyde (123-63-7)

化学的性質

化学的特性Paraldehyde is a colourless to yellowish clear liquid. Pleasant, sweet odor. Less dense than water. Vapors are heavier than air.

· May cause toxic effects if inhaled or absorbed through skin.

Hazards SummaryA skin, eye, and respiratory tract irritant; Causes sedation and respiratory depression when ingested; May cause injury to the liver and kidneys; [ICSC] A severe eye irritant; Targets CNS, heart, lungs, liver, and kidneys; [MSDSonline]
DOT ID and Guide1264 129
FDA Requirements · 3 件

Paraldehyde is subject to control under the Federal Control Substance Act of 1970 as a schedule IV (C-IV) drug.

Paraldehyde is an indirect food additive for use as a component of adhesives.

Derivatives designated as a habit forming drug.

Reactive GroupEthers
EC ClassificationSymbol: F; R: 11; S: (2)-9-16-29-33
UN ClassificationUN Hazard Class: 3; UN Pack Group: III
Special Reports · 2 件

USEPA/ECAO; Health and Environmental Effects Profile for Paraldehyde (1989) EPA/600/X-86/169. /This document contains/ both published literature and information obtained from Agency program office files were evaluated as they pertained to potential human health, aquatic life,and environmental effects of hazardous waste constituents. Existing data are insufficient to determine a reference dose or a carcinogenic potency factor for paraldehyde.

... Paraldehyde, diazepam, secobarbital and valproic acid are used when rapid effect for termination of prolonged or serial seizures is desired.[Graves NM, Kriel RL; Pediatr Neurol 3 (6): 321-6 (1987)]

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Use water spray, alcohol-resistant foam, dry powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 件

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Do NOT induce vomiting. Give one or two glasses of water to drink. Refer for medical attention .

Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

General First Aid:

Safe StorageFireproof. Separated from food and feedstuffs, bases and oxidants.
Firefighting HazardsVapors are heavier than air and may travel to a source of ignition and flash back.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting Procedures · 2 件

Use water spray, dry chemical, "alcohol resistant" foam, or carbon dioxide. Water may be ineffective. Use water spray to keep fire exposed containers cool. Approach fire from upwind to avoid hazardous vapors and toxic decomposition products.

If material is on fire or involved in a fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide.

Storage Conditions · 3 件

PARALDEHYDE SHOULD BE STORED IN WELL-FILLED, TIGHT, LIGHT-RESISTANT GLASS CONTAINERS WITH A CAPACITY OF NO MORE THAN 30 ML, AT A TEMP NOT EXCEEDING 25 °C.

Store in a cool, dry, well ventilated location. Separate from alkalies, acids, iodides, oxidizing material, rubber, and plastic. Inside storage should be in a standard flammable liquids storage warehouse, room, or cabinet.

IT IS BEST STORED IN 2- OR 5-ML AMPULES, WHICH CAN BE OPENED FRESHLY & UNUSED CONTENTS DISCARDED.

Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Disposal Methods · 2 件

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.

A good candidate for liquid injection incineration at a temperature range of 650 to 1,600 °C and a residence time of 0.1 to 2 seconds. A good candidate for rotary kiln incineration at a temperature range of 820 to 1,600 °C and residence times of seconds for liquids and gases, and hours for solids. A good candidate for fluidized bed incineration at a temperature range of 450 to 980 °C and residence times of seconds for liquids and gases, and longer for solids.

Spillage Disposal · 1 件

Remove all ignition sources. Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable non-plastic containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

毒性情報

Interactions · 5 件

Animal studies indicate that disulfiram slows the metabolism of paraldehyde by way of inhibition of acetaldehyde dehydrogenase resulting in an increase in blood concn of paraldehyde & acetaldehyde. Until this potential interaction is investigated in humans, paraldehyde & disulfiram should be admin together with caution.

INTERACTIONS BETWEEN PARALDEHYDE & ETHYL ALCOHOL ARE NOT WELL UNDERSTOOD ... DOSES OF 1-2 OZ IN ALCOHOLICS SOMETIMES KILL WITHIN 0.5-4 HR. IN ANIMALS ETHANOL & PARALDEHYDE ARE SYNERGISTIC BUT LESS THAN ADDITIVE IN TERMS OF LETHALITY; UNDER SOME DOSAGE SCHEDULES, HOWEVER, EXPTL DATA SUGGEST THAT THESE DRUGS ARE ANTAGONISTIC.

ADDITIVE CNS DEPRESSION MAY OCCUR WHEN PARALDEHYDE IS ADMIN CONCOMITANTLY WITH OTHER CNS DEPRESSANTS SUCH AS BARBITURATES OR ALCOHOL. SOME FATALITIES HAVE BEEN ASSOCIATED WITH CONCOMITANT USE OF ALCOHOL & PARALDEHYDE.

The increased acetate levels which may follow paraldehyde administration reportedly may increase the danger of sulfonamide crystalluria.

For more Interactions (Complete) data for PARALDEHYDE (7 total), please visit the HSDB record page.

Environmental Fate · 3 件

TERRESTRIAL FATE: If released to soil, paraldehyde may volatilize rapidly from soil surfaces or it may leach into deeper soil. Potential degradation products include acetaldehyde and acetic acid. (SRC)

AQUATIC FATE: If released to water, volatilization is expected to be an important, if not the dominant, fate process (half-life in a model river: 31 hr). Paraldehyde is not expected to bioaccumulate in aquatic organisms, or adsorb to suspended solids and sediments in water. (SRC)

ATMOSPHERIC FATE: Based on a vapor pressure of 25.5 mm Hg at 20 °C(1), paraldehyde is expected to exist almost entirely in the vapor phase in the atmosphere(2,SRC). Reaction with photochemically generated hydroxyl radicals is expected to be the dominant removal mechanism (half-life 45 hours). The relatively high water solubility of paraldehyde (125,000 mg/l at 25 °C(3)) suggests that this compound may also be removed from the atmosphere in precipitation(SRC).

Food Survey ValuesIdentified as a volatile flavor component of fried bacon(1).
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Exposure RoutesThe substance can be absorbed into the body by inhalation of its vapour and by ingestion.
Signs and Symptoms · 4 件

Burning sensation. Cough. Shortness of breath. Further see Ingestion.

Redness. Pain.

Redness. Pain.

Burning sensation in the throat and chest. Nausea. Vomiting. Diarrhoea. Drowsiness. Unconsciousness.

Effluent ConcentrationsIdentified in the effluent from a publicly owned treatment works in the USA(1). Identified in leachate samples taken from low-level radioactive waste disposal sites in Maxy Flats, KY and West Valley, NY(2).
Soil Adsorption/Mobility · 1 件

Soil adsorption coefficients (Koc) of 7-55 were estimated for paraldehyde using linear regression equations based on a water solubility of 125,000 mg/l at 25 °C and a log Kow of 0.67(1,2,3,SRC). These Koc values suggest that paraldehyde would be very highly mobile in soil and that adsorption to suspended solids and sediments in water would be insignificant(4,SRC).

Human Toxicity Excerpts · 5 件

... IT MAY PRODUCE EXCITEMENT OR DELIRIUM IN PRESENCE OF PAIN. ... IN LARGE DOSES, IT PRODUCES RESPIRATORY DEPRESSION & HYPOTENSION.

SOME DELAY IN ONSET OF RESP MOVEMENTS HAS BEEN OBSERVED IN NEONATES FOLLOWING ITS ADMIN TO MOTHER DURING LABOR.

Patients poisoned by paraldehyde commonly exhibit very rapid, labored respiratory movements. Acidosis, bleeding gastritis, muscular irritability, azotemia, oliguria, albuminuria, leukocytosis, fatty changes in the liver and kidney with toxic hepatitis and nephrosis, pulmonary hemorrhages and edema, and dilatation of the right ventricle have all been observed in cases of severe acute or chronic paraldehyde poisoning.

Chronic paraldehyde intoxication results in tolerance and dependence. The paraldehyde addict may become acquainted with the drug when it is used in the treatment of alcoholism and then, surprisingly in view of its disagreeable taste and odor, prefer it to alcohol. Paraldehyde addiction resembles alcoholism, and sudden withdrawal may result in delirium tremens and vivid hallucinations.

For more Human Toxicity Excerpts (Complete) data for PARALDEHYDE (18 total), please visit the HSDB record page.

Artificial Pollution Sources · 1 件

Paraldehyde may be released to the environment in emissions or effluents from sites of its manufacture or industrial use (paraldehyde is used as a drug, chemical intermediate, dyestuff intermediate, and solvent(1)) and from disposal of wastes containing this compound (ie hospital wastes)(2,3,SRC).

Environmental BiodegradationJapanese MITI, initial concn 100 ppm, 14 days <30% BODT, activated sludge inoculum(1). A bacterium isolated from sewage, C. paraldehydium KY 4359, was found to degrade paraldehyde to acetaldehyde and acetic acid(2).
Environmental Bioconcentration · 1 件

Based on a water solubility of 125,000 mg/l at 25 °C and a log Kow of 0.67, bioconcentration factors (BCF) of 0.8-2 were estimated for paraldehyde(1,2,3,SRC). These BCF values suggest that paraldehyde would not bioaccumulate significantly in aquatic organisms(SRC).

法規制情報

FDA Requirements · 3 件

Paraldehyde is subject to control under the Federal Control Substance Act of 1970 as a schedule IV (C-IV) drug.

Paraldehyde is an indirect food additive for use as a component of adhesives.

Derivatives designated as a habit forming drug.

RCRA Requirements · 1 件

U182; As stipulated in 40 CFR 261.33, when paraldehyde, as a commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate, becomes a waste, it must be managed according to Federal and/or State hazardous waste regulations. Also defined as a hazardous waste is any residue, contaminated soil, water, or other debris resulting from the cleanup of a spill, into water or on dry land, of this waste. Generators of small quantities of this waste may qualify for partial exclusion from hazardous waste regulations (40 CFR 261.5).

Atmospheric Standards · 1 件

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). These standards implement Section 111 of the Clean Air Act and are based on the Administrator's determination that emissions from the SOCMI cause, or contribute significantly to, air pollution which may reasonably be anticipated to endanger public health or welfare. The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Paraldehyde is produced, as an intermediate or final product, by process units covered under this subpart. These standards of performance become effective upon promulgation but apply to affected facilities for which construction or modification commenced after January 5, 1981.

CERCLA Reportable Quantities · 1 件

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 1000 lb or 454 kg. The toll free number of the NRC is (800) 424-8802; In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

安全データ

wgk
1
tsca
TSCA listed
rtecs
YK0525000
ridadr
UN 1264
毒性
LD50 orally in rats: 1.65 g/kg (Figot)
PRTR法
1-12
hs_code
29125000
risk_code
11-R11-10
化審法
(2)-483
安衛法
57,57-2
消防法
危-4-2-III
hazard_code
F
safety_code
9-16-29-33-S9-S33-S29-S16
hazard_class
3
packing_group
III
自然発火温度
235 °C
Hazard Classifications
Flam. Liq. 3
ストレージクラス
3 - Flammable liquids
有毒物質データの
123-63-7(Hazardous Substances Data)

Oral paraldehyde is rapidly absorbed and widely distributed; the drug readily crosses the placental barrier. With hypnotic doses, 70 to 80% is metabolized in the liver, most of the remainder is exhaled, and a small amount is excreted in urine.

... PARALDEHYDE EQUILIBRATES RAPIDLY BETWEEN MATERNAL & FETAL BLOODS.

FETAL/MATERNAL CONCN RATIO IS 0.94. /FROM TABLE/

Cellular LocationsCytoplasm

用途と製造

Uses · 6 件

Used as a substitute for acetaldehyde, an intermediate for dyes and other organic compounds, a solvent (fats, oils, waxes, gums, and resins), a rubber accelerator, and a medication (anticonvulsant and sedative); [HSDB] No longer prescribed as a medication; Was used as a motor fuel from 1939-1945; [Ullmann]

SUBSTITUTE FOR ACETALDEHYDE; MFR DYESTUFF INTERMEDIATES; SOLVENT FOR FATS, OILS, WAXES, GUMS, RESINS; LEATHER, MIXTURES FOR CELLULOSE DERIVATIVES

MFR ORGANIC COMPOUNDS

INDUSTRIALLY IT HAS BEEN USED AS SOLVENT & ALSO AS RUBBER ACTIVATOR & ANTIOXIDANT

Used in chemical synthesis as a source of acetaldehyde whereby resin formation and other secondary reactions are largely eliminated. ... for instance, ... production of pyridines and chlorination of chloral.

MEDICATION

Methods of Manufacturing · 2 件

PREPD BY POLYMERIZATION OF ACETALDEHYDE CATALYZED BY HCL & H2SO4 AT MEDIUM TO HIGH TEMP. CATALYZED BY MIXTURE OF H2SO4 & H3PO4.

BY TREATING ACETALDEHYDE WITH SMALL QUANTITIES OF SULFUR DIOXIDE, HYDROCHLORIC ACID, CARBONYL CHLORIDE, OR ZINC CHLORIDE; ALMOST COMPLETE CONVERSION OCCURS, & BY FREEZING LIQ & THEN DISTILLING CRYSTALLIZED MATERIAL, IF NECESSARY, PURE PARALDEHYDE IS PRODUCED.

Formulations/Preparations · 5 件

Grade: Technical, USP.

Paraldehyde: Oral & Rectal (liquid) Paral (C-IV) from Forest.

Paraldehyde: Parenteral (Sterile) Paraldehyde injection (C-IV) from CMC.

The British Pharmacopeia specifies that it contains a suitable amount of an antioxidant; the USA Pharmacopeia permits a suitable stabilizer.

For more Formulations/Preparations (Complete) data for PARALDEHYDE (8 total), please visit the HSDB record page.

Use Classification · 3 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Environmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing Information · 2 件

1,3,5-Trioxane, 2,4,6-trimethyl-: ACTIVE

/Paraldehyde is/ a cyclic polymer (trimer) of acetaldehyde.

応用分野 · 6 件

解説アセトアルデヒドCH3CHOの6員環状の三量体。パラアセトアルデヒドともよばれる。アセトアルデヒドを濃硫酸、塩酸などとともに加熱すると生成する(図)。三量体を生成する反応は可逆反応であるので、酸の作用によりアセトアルデヒドが再生される。特有のにおいをもつ無色の液体で、水にかなり溶け、エタノール(エチルアルコール)、エーテルなどの有機溶媒と任意の割合で混じり合う。有機合成原料、医薬、樹脂、ゴムなどの溶剤、ゴムの加硫促進剤などに用いられる。[廣田 穰 2015年3月19日]

用途香水、香料、染料、プラスチック、合成ゴム、酢酸、そのほか種々の有機化合物の合成原料。

用途溶剤、有機合成原料。

説明Paraldehyde was first synthesized in 1829 by Wildenbusch and introduced into clinical practice in the United Kingdom by the Italian physician Vincenzo Cervello in 1882. Paraldehyde, a polymer of acetaldehyde, is a clear colorless or slightly yellow transparent liquid with a strong aromatic as well as a disagreeable taste that at low temperatures, it solidifies into a crystalline mass. This agent decomposes with strong into toxic products that may be released into water, soil, or atmosphere.

使用Paraldehyde is used as solvent for fats, oils, waxes, rubber and resins; as substitute for acetaldehyde; as intermediate for organic chemicals, dyestuffs, accelerators for vulcanizations, rubber oxidants, etc. Product Data Sheet

一般的な説明Paraldehyde is recognizable as the cyclictrimer of acetaldehyde. It is a liquid with a strong characteristicodor detectable in the expired air and an unpleasanttaste. These properties limit its use almost exclusively toan institutional setting (e.g., in the treatment of deliriumtremens). In the past, when containers were opened and airadmitted and then reclosed and allowed to stand, fatalitiesoccurred because of oxidation of paraldehyde to glacialacetic acid.

調製方法 · 2 件

製造方法Prepared by the polymerization of acetaldehyde catalyzed by hydrochloric acid and sulfuric acid at medium to high temperatures.

純化方法Wash paraldehyde with water and fractionally distil it. Alternatively, it is purified by drying with anhydrous Na2SO4, then cooled to 5o, and the frozen material is separated by decantation. The solid is distilled (b 121-124o/atm), the distillate is collected, stored over anhydrous Na2SO4 for several days and re-distilled at atmospheric pressure before use [Le Fevre et al. J Chem Soc 290 1950]. The 2r,4c,6t-trimethyl-1,3,5-trioxane has m 14.5o, b 125o/760mm. [Beilstein 19 II 394, 19 III/IV 4715. 19/9 V 112.]

上流・下流製品情報

上流原料

アセトアルデヒドHypochlorous acid, ethyl ester (9CI)メタアルデヒド

下流製品

2-メチル-6-キノリンカルボン酸2,2-ジクロロアセトアルデヒド6-メトキシ-2-メチルキノリンブロマール4,6-O-エチリデン-α-D-グルコピラノーステレフタル酸炭酸1-クロロエチルシクロヘキシル2-メチル-1,3-ジオキソラン1,1-ジブロモエタン7-ブロモ-2-メチルキノリン2-メチル-6-エトキシキノリン6-ブロモ-2-メチルキノリン3-エチルピリジン

補足説明

定義ChEBI: Paraldehyde is a trioxane that is 1,3,5-trioxane substituted by methyl groups at positions 2, 4 and 6. It has a role as a sedative.