-
Name
moniliformin
- EINECS
- CAS No. 31876-38-7
- Article Data11
- CAS DataBase
- Density g/cm3
- Solubility
- Melting Point 163°C (rough estimate)
- Formula C4H2 O3
- Boiling Point 239.6°Cat760mmHg
- Molecular Weight 98.0581
- Flash Point 113°C
- Transport Information
- Appearance
- Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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
- PSA 54.37000
- LogP -0.41990
Moniliformin Chemical Properties
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
Moniliformin 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. |
Moniliformin Consensus Reports
EPA Genetic Toxicology Program.
Moniliformin Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes.
Moniliformin 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.
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