2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-cyclohexen-1-yl)-1,5-dimethyl-

Modify Date: 2024-01-08 09:46:29

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-cyclohexen-1-yl)-1,5-dimethyl- Structure
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-cyclohexen-1-yl)-1,5-dimethyl- structure
Common Name 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-cyclohexen-1-yl)-1,5-dimethyl-
CAS Number 56-29-1 Molecular Weight 236.26700
Density 1.225 g/cm3 Boiling Point 368.8ºC at 760 mmHg
Molecular Formula C12H16N2O3 Melting Point 145-147°
MSDS N/A Flash Point 176.8ºC
Symbol GHS02 GHS06 GHS08
GHS02, GHS06, GHS08
Signal Word Danger

 Names

Name hexobarbital
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.225 g/cm3
Boiling Point 368.8ºC at 760 mmHg
Melting Point 145-147°
Molecular Formula C12H16N2O3
Molecular Weight 236.26700
Flash Point 176.8ºC
Exact Mass 236.11600
PSA 66.48000
LogP 1.46800
Index of Refraction 1.5460 (estimate)
Storage condition 2-8°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ2625000
CHEMICAL NAME :
Barbituric acid, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-
CAS REGISTRY NUMBER :
56-29-1
LAST UPDATED :
199409
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C12-H16-N2-O3
MOLECULAR WEIGHT :
236.30
WISWESSER LINE NOTATION :
T6VMVNV FHJ D1 F1 F- AL6UTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
330 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
468 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
270 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
133 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intrapleural
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
340 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
160 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
80 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Rectal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
175 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
148 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1654 mg/kg/7D-I
TOXIC EFFECTS :
Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other hydrolases

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Human Leukocyte
DOSE/DURATION :
1500 mg/L
REFERENCE :
TGANAK Tsitologiya i Genetika. Cytology and Genetics. For English translation, see CYGEDX. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 18(1),13,1984 *** REVIEWS *** TOXICOLOGY REVIEW PHREA7 Physiological Reviews. (American Physiological Soc., 9650 Rockville Pike, Bethesda, MD 20814) V.1- 1921- Volume(issue)/page/year: 19,472,1939

 Safety Information

Symbol GHS02 GHS06 GHS08
GHS02, GHS06, GHS08
Signal Word Danger
Hazard Statements H225-H301 + H311 + H331-H370
Precautionary Statements P210-P260-P280-P301 + P310-P311
Hazard Codes Xn: Harmful;
Risk Phrases R22
Safety Phrases 36/37/39-45-36/37-16-7
RIDADR UN 3249
WGK Germany 3
RTECS CQ2625000
Packaging Group III
Hazard Class 6.1(b)

 Articles29

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A combined density functional theory and transition-state theory study of the mechanisms and reaction coefficients of gas-phase ozonolysis of geraniol-trans, 6-methyl-5-hepten-2-one, and 6-hydroxy-4-m...

Rabbit 3-hydroxyhexobarbital dehydrogenase is a NADPH-preferring reductase with broad substrate specificity for ketosteroids, prostaglandin D₂, and other endogenous and xenobiotic carbonyl compounds.

Biochem. Pharmacol. 86(9) , 1366-75, (2013)

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 Synonyms

Methexenyl
Barbidorm
Methylhexabital
Evipal
Enhexymal
Hexobarbitone
rac-Hexobarbital
Hexobarbital
Citopan
5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione
Cyclopan
5-cyclohexenyl-N-methyl-5-methyl-barbituric acid
Evipan
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