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| CAS No.: | 298-18-0 |
|---|---|
| Name: | 1,2,3,4-DIEPOXYBUTANE |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C4H6 O2 |
| Molecular Weight: | 86.0904 |
| Synonyms: | 2,2'-Bioxirane,(R*,R*)-(?à)-; Butane, 1,2:3,4-diepoxy-, (?à)- (8CI); Threitol,1,2:3,4-dianhydro-, DL- (6CI); (?à)-1,2:3,4-Diepoxybutane; (?à)-Diepoxybutane; 2,2'-Bioxirane, (R*,R*)-; DL-1,2:3,4-Diepoxybutane;DL-Diepoxybutane; Rac-1,3-Butadiene diepoxide; dl-1,2:3,4-Diepoxybutane |
| Density: | 1.751g/cm3 |
| Melting Point: | 3.5°C |
| Boiling Point: | 142.5°Cat760mmHg |
| Flash Point: | 40°C |
| Safety: | Confirmed carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Poison by ingestion, inhalation, and skin contact. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 25.06000 |
| LogP: | -0.21600 |
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Chemistry
Molecule structure of D,L-Diepoxybutane (CAS NO.298-18-0) :
IUPAC Name: 2-(oxiran-2-yl)oxirane
Molecular Weight: 86.08924 g/mol
Molecular Formula: C4H6O2
Density: 1.383 g/cm3
Melting Point: 3 deg C
Boiling Point: 138 °C at 760 mmHg
Flash Point: 45.6 °C
Index of Refraction: 1.546
Molar Refractivity: 19.7 cm3
Molar Volume: 62.2 cm3
Polarizability: 7.81*10-24 cm3
Surface Tension: 63.3 dyne/cm
Enthalpy of Vaporization: 35.98 kJ/mol
log P (octanol-water): -0.580
Water Solubility: 1.00E+06 mg/L
Vapor Pressure: 6.110 mm Hg
Henry's Law Constant: 3.54E-08 atm-m3/mole
Atmospheric OH Rate Constant: 9.96E-13 cm3/molecule-sec
XLogP3: -0.5
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 86.036779
MonoIsotopic Mass: 86.036779
Topological Polar Surface Area: 25.1
Heavy Atom Count: 6
Complexity: 61.9
Canonical SMILES: C1C(O1)C2CO2
InChI: InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2
InChIKey: ZFIVKAOQEXOYFY-UHFFFAOYSA-N
EINECS: 206-060-6
Product Categories: Organics
Toxicity Data With Reference
| 1. | mmo-ssp 20 mmol/L | ADWMAX ADWMAX Abhandlungen der Deutschen Akademie der Wissenschaften zu Berlin, Klasse fuer Medizin .(Berlin.: Ger. Dem. Rep.)1962,193. | ||
| 2. | dns-ham:lvr 1 µmol/L | ENMUDM Environmental Mutagenesis. 6 (1984),1. | ||
| 3. | orl-rat LD50:210 mg/kg | IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. 6 (1967),1. | ||
| 4. | ihl-rat LC50:56 ppm/4H | IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. 6 (1967),1. | ||
| 5. | skn-mus LDLo:400 mg/kg | JNCIAM Journal of the National Cancer Institute. 31 (1963),41. | ||
| 6. | skn-rbt LD50:800 mg/kg | IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. 6 (1967),1. |
Consensus Reports
IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 11 (1976),p. 115.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program.
Safety Profile
Confirmed carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Poison by ingestion, inhalation, and skin contact. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Specification
D,L-Diepoxybutane (CAS NO.298-18-0) is also called (+-)-1,2:3,4-Diepoxybutane ; (R*,R*)-(+-)-2,2'-Bioxirane ; 1,2:3,4-Dianhydro-DL-threitol ; CCRIS 2782 ; D,L-1,2:3,4-Diepoxybutane ; Diepoxybutane, dl- ; dl-Butadiene dioxide ;
1,2,3,4-Diepoxybutane ; 2,2'-Bioxirane, (2R,2'R)-rel- ; 2,2'-Bioxirane, (theta,theta)-(+/-)- ; Butane, (+-)-1,2:3,4-diepoxy- . D,L-Diepoxybutane (CAS NO.298-18-0) is olorless to yellow liquid. It is highly flammable. D,L-Diepoxybutane is soluble in water and slowly hydrolyzes in water. D,L-Diepoxybutane (CAS NO.298-18-0) is incompatible with acids, bases and oxidizing agents. Reacts with 4-(4'-nitrobenzyl)pyridine. Also reacts with alcohols, amines, phenols. D,L-Diepoxybutane (CAS NO.298-18-0) is combustible.