BARBITURIC ACID, 1,3-DIMETHYL-5-ISOPENTYL-

Modify Date: 2025-11-24 17:53:48

BARBITURIC ACID, 1,3-DIMETHYL-5-ISOPENTYL- Structure
BARBITURIC ACID, 1,3-DIMETHYL-5-ISOPENTYL- structure
 Common Name BARBITURIC ACID, 1,3-DIMETHYL-5-ISOPENTYL-
CAS Number 66941-04-6 Molecular Weight 226.27200
Density 1.1g/cm3 Boiling Point 299.1ºC at 760 mmHg
Molecular Formula C11H18N2O3 Melting Point N/A
MSDS N/A Flash Point 114.8ºC

 Names

Name 1,3-dimethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1g/cm3
Boiling Point 299.1ºC at 760 mmHg
Molecular Formula C11H18N2O3
Molecular Weight 226.27200
Flash Point 114.8ºC
Exact Mass 226.13200
PSA 57.69000
LogP 0.96500
Index of Refraction 1.481
InChIKey UXTWCUZROXOWIR-UHFFFAOYSA-N
SMILES CC(C)CCC1C(=O)N(C)C(=O)N(C)C1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ4097500
CHEMICAL NAME :
Barbituric acid, 1,3-dimethyl-5-isopentyl-
CAS REGISTRY NUMBER :
66941-04-6
BEILSTEIN REFERENCE NO. :
0212017
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H18-N2-O3
MOLECULAR WEIGHT :
226.31
WISWESSER LINE NOTATION :
T6VNVNV FHJ B1 D1 F2Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
525 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 63,356,1941

 Synthetic Route

Diethyl (3-methylbutyl)malonate structure

Diethyl (3-meth...

CAS#:5398-08-3

1,3-Dimethylurea structure

1,3-Dimethylurea

CAS#:96-31-1

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BARBITURIC ACID, 1,3-DIMETHYL-5-ISOPENTYL- Structure

BARBITURIC ACID...

CAS#:66941-04-6

Literature: Cope et al. Journal of the American Chemical Society, 1941 , vol. 63, p. 356
1,3-dimethylbarbituric acid structure

1,3-dimethylbar...

CAS#:769-42-6

~%

BARBITURIC ACID, 1,3-DIMETHYL-5-ISOPENTYL- Structure

BARBITURIC ACID...

CAS#:66941-04-6

Literature: Szostak, Michal; Sautier, Brice; Spain, Malcolm; Behlendorf, Maike; Procter, David J. Angewandte Chemie - International Edition, 2013 , vol. 52, # 48 p. 12559 - 12563 Angew. Chem., 2013 , vol. 125, # 48 p. 12791 - 12795,5
3-Methylbutanoic acid structure

3-Methylbutanoi...

CAS#:503-74-2

~%

BARBITURIC ACID, 1,3-DIMETHYL-5-ISOPENTYL- Structure

BARBITURIC ACID...

CAS#:66941-04-6

Literature: Szostak, Michal; Sautier, Brice; Spain, Malcolm; Behlendorf, Maike; Procter, David J. Angewandte Chemie - International Edition, 2013 , vol. 52, # 48 p. 12559 - 12563 Angew. Chem., 2013 , vol. 125, # 48 p. 12791 - 12795,5

 Synonyms

1,3-Dimethyl-5-isopentylbarbituric acid
5-Isopentyl-1,3-dimethyl-barbitursaeure
BARBITURIC ACID,1,3-DIMETHYL-5-ISOPENTYL
5-isopentyl-1,3-dimethyl-barbituric acid
Barbituric acid,3-dimethyl-5-isopentyl
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Chemsrc provides CAS#:66941-04-6 MSDS, density, melting point, boiling point, structure, etc. Its name is BARBITURIC ACID, 1,3-DIMETHYL-5-ISOPENTYL->> amp version: BARBITURIC ACID, 1,3-DIMETHYL-5-ISOPENTYL-

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