2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-cyclohexen-1-yl)-1,5-dimethyl-
Names
[ CAS No. ]:
56-29-1
[ Name ]:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-cyclohexen-1-yl)-1,5-dimethyl-
[Synonym ]:
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
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
[ 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)
Articles
J. Phys. Chem. A 112(29) , 6636-45, (2008)
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)
3-Hydroxyhexobarbital dehydrogenase (3HBD) catalyzes NAD(P)⁺-linked oxidation of 3-hydroxyhexobarbital into 3-oxohexobarbital. The enzyme has been thought to act as a dehydrogenase for xenobiotic alco...
Green leaf volatiles enhance methyl jasmonate response in Arabidopsis.J. Biosci. Bioeng. 114(5) , 540-5, (2012)
Plants emit green leaf volatiles (GLVs) in response to insect or pathogen damage. GLVs consist of C6 and C9 aldehydes, alcohols, and their acetate esters, and play important roles in the plant defense...