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

Modify Date: 2025-08-25 17:29:03

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	Signal Word	Danger

Name	hexobarbital
Synonym	More Synonyms

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)
InChIKey	UYXAWHWODHRRMR-UHFFFAOYSA-N
SMILES	CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O
Storage condition	2-8°C

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

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)

Ozonolysis of geraniol-trans, 6-methyl-5-hepten-2-one, and 6-hydroxy-4-methyl-4-hexenal: kinetics and mechanisms.

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...

Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase

Name: Negative log of molar concentration (-log ED50) required to reduce cell division by 5...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL645579

Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Partition coefficient (logD6.5)
Source: ChEMBL
Target: N/A
External Id: CHEMBL646647

Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01

Name: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen
Source: NCGC
Target: N/A
External Id: SMAD3201

Name: uHTS identification of cystic fibrosis induced NFkb Inhibitors in a fluoresence assay
Source: Burnham Center for Chemical Genomics
Target: cystic fibrosis transmembrane conductance regulator [Homo sapiens]
External Id: SBCCG-A764-CF-PAF-Primary-Assay

Name: Fluorescence-based cell-based primary high throughput screening assay to identify ant...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_ANT_FLUO8_1536_1X%INH PRUN

Total 393, Current Page 1 of 40

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Cyclopan

5-cyclohexenyl-N-methyl-5-methyl-barbituric acid

Evipan

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Product Name: 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-cyclohexen-1-yl)-1,5-dimethyl-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-cyclohexen-1-yl)-1,5-dimethyl

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Articles29

Bioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.