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| CAS No.: | 2706-75-4 |
|---|---|
| Name: | SODIUM GLYOXYLATE |
| Molecular Structure: | |
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| Formula: | C2H2O3.Na |
| Molecular Weight: | 96.0179 |
| Synonyms: | Glyoxylicacid, sodium salt (8CI);Sodium glyoxylate;Sodium oxoacetate;CCRIS 6298;Acetic acid, oxo-, sodium salt;Glyoxylic acid, sodium salt;Oxoethanoic acid sodium salt;Sodium glyoxylate monohydrate;Glyoxylic acid sodium salt monohydrate; |
| EINECS: | 220-298-8 |
| Density: | 1.384g/cm3 |
| Melting Point: | 98oC |
| Boiling Point: | 224.6 °C at 760 mmHg |
| Flash Point: | 103.9 °C |
| Safety: | 22-24/25 |
| PSA: | 57.20000 |
| LogP: | -2.06480 |
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Specification
The Acetic acid, oxo-,sodium salt (9CI) with CAS registry number of 2706-75-4 is also known as Sodium glyoxylate. The IUPAC name is Sodium oxaldehydate. Its EINECS registry number is 220-298-8. In addition, the formula is C2H2O3.Na and the molecular weight is 96.02. When you are using this chemical, avoid contact with skin and eyes and do not breathe dust.
Physical properties about Acetic acid, oxo-,sodium salt (9CI) are: (1)ACD/LogP: -0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.76; (4)ACD/LogD (pH 7.4): -4.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.37Å2; (13)Flash Point: 103.9 °C; (14)Enthalpy of Vaporization: 50.8 kJ/mol; (15)Boiling Point: 224.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0331 mmHg at 25 °C.
Uses of Acetic acid, oxo-,sodium salt (9CI): it is used to produce 3-Hydroxy-2-methyl-2,3-dihydro-isoindol-1-one by reaction with N-Methyl-phthalimide. The reaction occurs with reagent Acetone and H2O and other condition of irradiation at 15 °C. The yield is about 52%.
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You can still convert the following datas into molecular structure:
1. SMILES: [Na+].[O-]C(=O)C=O
2. InChI: InChI=1/C2H2O3.Na/c3-1-2(4)5;/h1H,(H,4,5);/q;+1/p-1
3. InChIKey: SOEVVANXSDKPIY-REWHXWOFAV
4. Std. InChI: InChI=1S/C2H2O3.Na/c3-1-2(4)5;/h1H,(H,4,5);/q;+1/p-1
5. Std. InChIKey: SOEVVANXSDKPIY-UHFFFAOYSA-M
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | intravenous | 270mg/kg (270mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Archivio di Science Biologiche Vol. 23, Pg. 281, 1937. |
| rabbit | LDLo | intravenous | 300mg/kg (300mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Archivio di Science Biologiche Vol. 23, Pg. 281, 1937. |
| rat | LDLo | intraperitoneal | 485mg/kg (485mg/kg) | Journal of Biological Chemistry. Vol. 203, Pg. 1023, 1953. |