CAS 123-63-7|paraldehyde

Introduction：Basic information about CAS 123-63-7|paraldehyde, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles25
7. Synonyms

Common Name	paraldehyde
CAS Number	123-63-7	Molecular Weight	132.15800
Density	0.994 g/mL at 20 °C(lit.)	Boiling Point	65-82 °C
Molecular Formula	C₆H₁₂O₃	Melting Point	12 °C
MSDS	ChineseUSA	Flash Point	30 °F
Symbol	GHS02	Signal Word	Warning

Names

Name	paraldehyde
Synonym	More Synonyms

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
InChIKey	SQYNKIJPMDEDEG-UHFFFAOYSA-N
SMILES	CC1OC(C)OC(C)O1
Stability	Stable. Flammable. Incompatible with strong oxidizing agents, mineral acids.
Water Solubility	125 g/L (25 ºC)

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

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%

Articles25

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...

Synonyms

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

Recommended......