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| CAS No.: | 31876-38-7 |
|---|---|
| Name: | moniliformin |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C4H2 O3 |
| Molecular Weight: | 98.0581 |
| Synonyms: | Cyclobutenedione,hydroxy- (8CI); 1-Hydroxycyclobutene-3,4-dione;3-Hydroxy-3-cyclobutene-1,2-dione; 3-Hydroxy-3-cyclobutenedione;Hydroxycyclobutenedione; Moniliformin; NSC 292896; Semisquaric acid |
| Density: | g/cm3 |
| Melting Point: | 163°C (rough estimate) |
| Boiling Point: | 239.6°Cat760mmHg |
| Flash Point: | 113°C |
| Safety: | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 54.37000 |
| LogP: | -0.41990 |
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Chemistry
Molecule structure of Moniliformin (CAS NO.31876-38-7) :
IUPAC Name: 3-hydroxycyclobut-3-ene-1,2-dione
Molecular Weight: 98.05688 g/mol
Molecular Formula: C4H2O3
Density: 1.876 g/cm3
Boiling Point: 239.6 °C at 760 mmHg
Flash Point: 113 °C
Index of Refraction: 1.686
Molar Refractivity: 19.89 cm3
Molar Volume: 52.2 cm3
Polarizability: 7.88*10-24 cm3
Surface Tension: 116.8 dyne/cm
Enthalpy of Vaporization: 55.38 kJ/mol
Vapour Pressure: 0.00695 mmHg at 25 °C
XLogP3-AA: -0.6
H-Bond Donor: 1
H-Bond Acceptor: 3
Tautomer Count: 2
Exact Mass: 98.000394
MonoIsotopic Mass: 98.000394
Topological Polar Surface Area: 54.4
Heavy Atom Count: 7
Complexity: 166
Canonical SMILES: C1=C(C(=O)C1=O)O
InChI: InChI=1S/C4H2O3/c5-2-1-3(6)4(2)7/h1,5H
InChIKey: KGPQKNJSZNXOPV-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:41 mg/kg | FCTXAV Food and Cosmetics Toxicology. 15 (1977),579. | ||
| 2. | ipr-mus LD50:21 mg/kg | POSCAL Poultry Science. 60 (1981),1415. | ||
| 3. | orl-ckn LD50:4 mg/kg | FCTXAV Food and Cosmetics Toxicology. 15 (1977),579. | ||
| 4. | orl-dck LD50:3680 mg/kg | FCTXAV Food and Cosmetics Toxicology. 15 (1977),579. |
Consensus Reports
EPA Genetic Toxicology Program.
Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes.
Specification
Moniliformin (CAS NO.31876-38-7) is also called 1-Hydroxy-cyclobut-1-ene-3,4-dione ; 3-Cyclobutene-1,2-dione, 3-hydroxy- ; 3-Hydroxy-3-cyclobutene-1,2-dione ; 3-Hydroxy-3-cyclobutenedione ; BRN 1925339 ; CCRIS 4943 ; Cyclobutenedione, hydroxy- ; Hydroxycyclobutenedione ; NSC 292896 ; Semisquaric acid ; 1-Hydroxycyclobut-1-ene-3,4-dione . Moniliformin (CAS NO.31876-38-7) is high toxic. It is flammable. It will emit stimulate pungent smoke by fire. So the storage environment should be ventilate, low-temperature and dry. Keep Moniliformin (CAS NO.31876-38-7) separate from raw materials of food.