paraldehyde

Suppliers

Names

[ CAS No. ]:
123-63-7

[ Name ]:
paraldehyde

[Synonym ]:
FEMA 2003
ALDEFRESH
Paraldehyde
Paraldeide
ALDEHYDE
paracetaldehyde
paradehyde
Elaldehyde
Acetaldehyde Trimer
2,4,6-Trimethyl-1,3,5-trioxacyclohexane,s-Trimethyltrioxymethylene,Acetaldehyde trimer
para-acetaldehyde
MFCD00036208
EINECS 204-639-8
Paral
Paraldehyd
Aldehyde (para)
2,4,6-trimethyl-1,3,5-trioxane
Pcho

Chemical & Physical Properties

[ Density]:
0.994 g/mL at 20 °C(lit.)

[ Boiling Point ]:
65-82 °C

[ Melting Point ]:
12 °C

[ Molecular Formula ]:
C₆H₁₂O₃

[ Molecular Weight ]:
132.15800

[ Flash Point ]:
30 °F

[ Exact Mass ]:
132.07900

[ PSA ]:
27.69000

[ LogP ]:
1.08780

[ Vapour density ]:
1.52 (vs air)

[ Vapour Pressure ]:
0.0544mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.39

[ Stability ]:
Stable. Flammable. Incompatible with strong oxidizing agents, mineral acids.

[ Water Solubility ]:
125 g/L (25 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YK0525000

CHEMICAL NAME :: s-Trioxane, 2,4,6-trimethyl-

CAS REGISTRY NUMBER :: 123-63-7

BEILSTEIN REFERENCE NO. :: 0080142

LAST UPDATED :: 199710

DATA ITEMS CITED :: 21

MOLECULAR FORMULA :: C6-H12-O3

MOLECULAR WEIGHT :: 132.18

WISWESSER LINE NOTATION :: T6O CO EOTJ B1 D1 F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 3/24/1970

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 3/24/1970 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 568 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Cardiac - pulse rate increase, without fall in BP Biochemical - Metabolism (Intermediary) - other

REFERENCE :: BJPYAJ British Journal of Psychiatry. (Headley Brothers, Ltd., Ashford, Kent TN24 8HH, UK) V.109- 1963- Volume(issue)/page/year: 149,650,1986

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 1462 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85DCAI "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970 Volume(issue)/page/year: 2,73,1970

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Rectal

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 333 mg/kg

TOXIC EFFECTS :: Gastrointestinal - necrotic changes

REFERENCE :: SAMJAF South African Medical Journal. (Medical Assoc. of South Africa, Secy., P.O. Box 643, Cape Town, S. Africa) V.6- 1932- Volume(issue)/page/year: 29,1021,1955

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1530 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 3/24/1970

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4000 ppm/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 3/24/1970

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 1,156,1959

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1650 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 182,348,1936

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2750 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,19,1957

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1257 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,19,1957

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 3300 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3304 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 29,730,1932

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 14100 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 3/24/1970 *** REVIEWS *** TOXICOLOGY REVIEW CLCHAU Clinical Chemistry (Winston-Salem, NC). (American Assoc. for Clinical Chemistry, 1725 K St., NW, Washington, DC 20006) V.1- 1955- Volume(issue)/page/year: 19,361,1973 TOXICOLOGY REVIEW FNSCA6 Forensic Science. (Lausanne, Switzerland) V.1-11, 1972-78. For pub lisher information, see FSINDR. Volume(issue)/page/year: 2,67,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1332 No. of Facilities: 48 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 2152 (estimated) No. of Female Employees: 1499 (estimated)

Safety Information

[ Symbol ]:

GHS02

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
F:Flammable;

[ Risk Phrases ]:
R11

[ Safety Phrases ]:
S9-S16-S29-S33

[ RIDADR ]:
UN 1993 3/PG 2

[ WGK Germany ]:
1

[ RTECS ]:
YK0525000

[ Packaging Group ]:
III

[ Hazard Class ]:
3.2

[ HS Code ]:
2912500090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

ch3cho
3,3-Dimethyl-1-Butyne
Boron trifluoride etherate
2-Butynedioic acid
ethyl hypochlorite
Triethyl orthoformate
1-ethenylsulfinylethene
1,1-Diethoxyethane
Dimethyl Acetal
Ethanol

DownStream

2,6-di-tert-butyl-4-ethylphenol
1,3-bis(3,5-di-tert-butyl-4-hydroxyphenyl)butane
2,4-Di-t-butylphenol
3-(3,5-di-tert-butyl-4-hydroxyphenyl)butan-1-ol
3-Ethylpyridine
3-Mepy
5-Ethyl-2-methylpyridine
2,5-Lutidine
Dimethyl Acetal
1,3-Dioxolane,2-methyl-

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Vibrational spectral assignments of paraldehyde by ab initio and density functional methods.

J. Mol. Model. 14(5) , 375-83, (2008)

The FTIR and Laser-Raman spectra of paraldehyde have been recorded in the regions 4000-400 cm(-1) and 3500-250 cm(-1) respectively. Molecular electronic energy, geometrical structure, harmonic vibrati...

Paraldehyde.

J. Appl. Toxicol. 11(5) , 379-81, (1991)

Response to diazepam in children with malaria-induced seizures.

Epilepsy Res. 82(2-3) , 215-8, (2008)

Malaria infection reduces the binding capacity of benzodiazepine receptors in mice. We studied the efficacy of diazepam terminating seizures in children with falciparum malaria. Diazepam stopped seizu...

paraldehyde
paraldehyde-d9
Paraldehyde,formaldehyde,phenol polymer
4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
(4-Methyl-tetrahydro-furan-2-yl)-methanol
N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
3-[(3,3-Difluorocyclobutyl)methyl]-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
tert-Butyl-DL-alanine
2-({1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl}methyl)-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one