chloral hydrate
1,1,1-trichloro-2,2-dihydroxyethane
 
Notes:
a hypnotic and sedative used in the treatment of insomnia.
  • BOC Sciences
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      Product(s):
      302-17-0 Chloral hydrate
       
  • Glentham Life Sciences
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CAS Number: 302-17-0Picture of molecule3D/inchi
Other(deleted CASRN): 109128-19-0
FDA UNII: 418M5916WG
Nikkaji Web: J1.517B
Beilstein Number: 1698497
MDL: MFCD00044479
XlogP3: 1.00 (est)
Molecular Weight: 165.40031000
Formula: C2 H3 Cl3 O2
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: indirect food additives: adhesives and components of coatings
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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FDA Mainterm (IAUFC):302-17-0 ; CHLORAL HYDRATE
FDA Regulation:
FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS
Subpart B--Substances for Use Only as Components of Adhesives
Sec. 175.105 Adhesives.
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Physical Properties:
Appearance: white crystals (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 57.00 °C. @ 760.00 mm Hg
Boiling Point: 98.00 °C. @ 760.00 mm Hg
Boiling Point: 96.00 to  97.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 15.000000 mmHg @ 25.00 °C.
Flash Point: 135.00 °F. TCC ( 57.30 °C. ) (est)
logP (o/w): 0.990
Soluble in:
 water, 3.83E+06 mg/L @ 38C (exp)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Chloral hydrate
Glentham Life Sciences
Chloral hydrate, 99%
Sigma-Aldrich: Sigma
For experimental / research use only.
Chloral hydrate
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Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-cat LDLo  400 mg/kg
BEHAVIORAL: SLEEP
Journal of Pharmacology and Experimental Therapeutics. Vol. 78, Pg. 340, 1943.

intravenous-cattle LDLo  10 mg/kg
"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.

oral-cattle LDLo  30 mg/kg
"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.

intravenous-child TDLo  39 mg/kg
SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Toxicology, Clinical Toxicology. Vol. 34, Pg. 101, 1996.

intravenous-child TDLo  88 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Toxicology, Clinical Toxicology. Vol. 34, Pg. 101, 1996.

oral-child TDLo  70 mg/kg
CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pediatrics. Vol. 131, Pg. 787, 1997.

oral-child TDLo  219 mg/kg
CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)
Journal of Toxicology, Clinical Toxicology. Vol. 34, Pg. 101, 1996.

unreported-child TDLo  48 mg/kg/6H-I
CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP
Anesthesia and Analgesia Vol. 65, Pg. 691, 1986.

intravenous-dog LDLo  180 mg/kg
BEHAVIORAL: GENERAL ANESTHETIC
"Nachprufung der Toxicitat von Novocain und Tutocain bei Chloralisierten Tieren, Dissertation," Barke, A., Pharmakologischen Institut der Tierarztlichen Hochschule zu Hannover, Fed. Rep. Ger., 1936Vol. -, Pg. -, 1936.

oral-dog LDLo  1000 mg/kg
BEHAVIORAL: SLEEP
Journal of Pharmacology and Experimental Therapeutics. Vol. 78, Pg. 340, 1943.

oral-frog LDLo  938 mg/kg
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 8, Pg. 77, 1901.

parenteral-frog LDLo  900 mg/kg
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 166, Pg. 437, 1932.

unreported-guinea pig LD50  940 mg/kg
BEHAVIORAL: EXCITEMENT BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(3), Pg. 14, 1970.

intraarterial-guinea pig LDLo  400 mg/kg
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 131, Pg. 171, 1928.

intravenous-guinea pig LDLo  400 mg/kg
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 131, Pg. 171, 1928.

oral-human LDLo  4 mg/kg
GASTROINTESTINAL: NAUSEA OR VOMITING SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE
"Pharmacology: Basis of Therapy," 3rd ed., Goodman, L.S., ed., New York, Macmillan Pub. Co., 1967Vol. 3, Pg. 132, 1967.

oral-human TDLo  300 mg/kg
BEHAVIORAL: GENERAL ANESTHETIC CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
British Medical Journal. Vol. 2, Pg. 994, 1977.

unreported-man LDLo  103 mg/kg
"Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.

oral-man TDLo  1000 mg/kg
CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: COMA
Journal of Toxicology, Clinical Toxicology. Vol. 34, Pg. 97, 1996.

intraperitoneal-mouse LD50  580 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 665, 1960.

intravenous-mouse LD50  530 mg/kg
Annales Pharmaceutiques Francaises. Vol. 38, Pg. 65, 1980.

oral-mouse LD50  1100 mg/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 106, Pg. 444, 1952.

unreported-mouse LD50  850 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT BEHAVIORAL: ATAXIA
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(3), Pg. 14, 1970.

unreported-rabbit LD50  1400 mg/kg
BEHAVIORAL: EXCITEMENT BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(3), Pg. 14, 1970.

intravenous-rabbit LDLo  400 mg/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 63, Pg. 453, 1938.

oral-rabbit LDLo  1200 mg/kg
BEHAVIORAL: GENERAL ANESTHETIC
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 132, Pg. 214, 1928.

intraperitoneal-rat LD50  472 mg/kg
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 41, Pg. 100, 1952.

oral-rat LD50  479 mg/kg
Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.

parenteral-rat LD50  710 mg/kg
Drugs in Japan Vol. 6, Pg. 784, 1982.

unreported-rat LD50  725 mg/kg
BEHAVIORAL: EXCITEMENT BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(3), Pg. 14, 1970.

Dermal Toxicity:
subcutaneous-mouse LDLo 800 mg/kg
BEHAVIORAL: GENERAL ANESTHETIC LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: EXCITEMENT
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 166, Pg. 437, 1932.

subcutaneous-rabbit LDLo 1000 mg/kg
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: GENERAL ANESTHETIC
Zeitschrift fuer Experimentelle Pathologie und Therapie. Vol. 18, Pg. 61, 1916.

skin-rat LD50 3030 mg/kg
"Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A065, Pg. 1984

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: indirect food additives: adhesives and components of coatings
Recommendation for chloral hydrate usage levels up to:
 not for fragrance use.
 
Recommendation for chloral hydrate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA-Iris: IRIS
ClinicalTrials.gov: search
Daily Med: search
NIOSH International Chemical Safety Cards: search
Chemical Carcinogenesis Research Information System: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA GENetic TOXicology: Search
EPA Substance Registry Services (TSCA): 302-17-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 2707
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 2,2,2-trichloroethane-1,1-diol
Chemidplus: 0000302170
EPA/NOAA CAMEO: hazardous materials
RTECS: 302-17-0
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References:
 2,2,2-trichloroethane-1,1-diol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 302-17-0
Pubchem (cid): 2707
Pubchem (sid): 134975615
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Indirect Additives used in Food Contact Substances:View
CHEBI: View
CHEMBL: View
UM BBD: Search
KEGG (GenomeNet): C06899
HMDB (The Human Metabolome Database): Search
MedlinePlusSupp: View
ChemSpider: View
Wikipedia: View
Formulations/Preparations:
•dosage forms-capsules: 250 and 500 mg, and 1 g; elixir: 500 mg5 ml; suppositories: 325, 500, and 650 mg. syrup: 250 and 500 mg5 ml. •noctec capsules contain 500 mg chloral hydrate per capsule, noctec syrup contains 500 mg chloral hydrate per 5 ml •grade: technical, usp •chloropent injection; intravenous anesthetic; each ml contains: chloral hydrate 42.5 mg; magnesium sulfate 21.2 mg; pentobarbital 8.86 mg; ethyl alcohol 14.25%; propylene glycol 33.8%; purified water, qs (for cattle & horses) •chloral hydrate capsules contain not less than 95.0 % and not more than 110.0 % of the labeled amount of chloral hydrate. •chloral hydrate syrup contains not less than 95.0 % and not more than 110.0 % of the labeled amount of chloral hydrate. •chloral hydrate and ethanol in combination are referred to as mickey finn.
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 aquachloral
 chloradorm
 chloral monohydrate
 chloralhydrate
 ethanediol, 2,2,2-trichloro-
1,1-ethanediol, 2,2,2-trichloro-
 knockout drops
 lycoral
 novochlorhydrate
2,2,2-trichloro-1,1-ethanediol
1,1,1-trichloro-2,2-dihydroxyethane
1,1,1-trichloro-2,2-ethanediol
 trichloroacetaldehyde
 trichloroacetaldehyde hydrate
 trichloroacetaldehyde monohydrate
 trichloroacetaldehyde, hydrated
2,2,2-trichloroethane-1,1-diol
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Articles:
PubMed: Aldehyde dehydrogenase 2 partly mediates hypotensive effect of nitrite on L-NAME-induced hypertension in normoxic rat.
PubMed: Rapid and facile detection of four date rape drugs in different beverages utilizing proton transfer reaction mass spectrometry (PTR-MS).
PubMed: Meal-feeding rodents and toxicology research.
PubMed: Verocytotoxin-producing Escherichia coli (VTEC).
PubMed: [Depressive-like state and sleep in laboratory mice].
PubMed: Use of anesthetic agents in neonates and young children.
PubMed: Effect of taurine on gastric oxidative stress and hemorrhagic erosion in brain ischemic rats.
PubMed: Role of gastric oxidative stress and nitric oxide in formation of hemorrhagic erosion in rats with ischemic brain.
PubMed: History repeats itself: pharmacodynamic trends in the treatment of anxiety disorders.
PubMed: Increased osmolality of breast milk with therapeutic additives.
PubMed: Toxicokinetics of chloral hydrate in ad libitum-fed, dietary-controlled, and calorically restricted male B6C3F1 mice following short-term exposure.
PubMed: Dietary controlled carcinogenicity study of chloral hydrate in male B6C3F1 mice.
PubMed: Body weight considerations in the B6C3F1 mouse and the use of dietary control to standardize background tumor incidence in chronic bioassays.
PubMed: Lipid peroxidation and cell death mechanisms in rats and human cells induced by chloral hydrate.
PubMed: Toxicology and carcinogenesis study of chloral hydrate (ad libitum and dietary controlled) (CAS no. 302-17-0) in male B6C3F1 mice (gavage study).
PubMed: Subchronic toxicity of chloral hydrate on rats: a drinking water study.
PubMed: NTP Technical Report on the Toxicology and Carcinogenesis Studies of Chloral Hydrate (Cas No. 302-17-0) in B6C3F1 mice (Gavage Studies).
PubMed: Inhibition of purified pig and human liver retinyl ester hydrolase by pharmacologic agents.
PubMed: Comparative study of a combination of isometheptene mucate, dichloralphenazone with acetaminophen and sumatriptan succinate in the treatment of migraine.
PubMed: Analytical methods for water disinfection byproducts in foods and beverages.
PubMed: Adverse sedation events in pediatrics: analysis of medications used for sedation.
PubMed: Migraine in older patients: a case report and management strategies.
PubMed: Monoamines and nitric oxide are employed by afferents engaged in midline thalamic regulation.
PubMed: Tonic sympathetic nervous system inhibition of insulin secretion is diminished in obese Zucker rats.
PubMed: Should chloral hydrate be banned?
PubMed: Chloral hydrate side effects in young children: causes and management.
PubMed: Dynamics of oral intake resumption after general anesthesia and operation in rats.
PubMed: Ninety-day toxicity study of chloral hydrate in the Sprague-Dawley rat.
PubMed: Myocardial mechanics predict hemodynamic performance during normal function and alcohol-induced dysfunction in rats.
PubMed: Ethyl carbamate metabolism: in vivo inhibitors and in vitro enzymatic systems.
PubMed: The rediscovery of infant feeding formula with magnetic resonance imaging.
PubMed: Methods of euthanasia in poultry and food-producing animals.
PubMed: [Inhibition of methanogenesis in the rumen of sheep. II. Methanogenesis after administration of inhibitors].
PubMed: Effect of perinatal polybrominated biphenyl exposure on acquisition and performance of an autoshaping paradigm.
PubMed: Effects of some volatile sedative-hypnotics on punished behavior.
PubMed: Breast-feeding and failure to thrive.
PubMed: Chlorpromazine induced hyperphagia in the rat.
PubMed: Radiation-induced dechlorination of chloral hydrate and 1,1,1-trichloro-2,2-bis(p-chlorophenyl)ethane (DDT).
PubMed: Generalization by rats of alcohol and atropine stimulus characteristics to other drugs.
PubMed: Enumeration of Bacillus cereus in foods.
PubMed: Effect of prolonged individual caging on toxicity parameters in rats.
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