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Acetic acid, oxo-,sodium salt (9CI)

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Name

Acetic acid, oxo-,sodium salt (9CI)

EINECS 220-298-8
CAS No. 2706-75-4 Density 1.384g/cm3
PSA 57.20000 LogP -2.06480
Solubility N/A Melting Point 98oC
Formula C2H2O3.Na Boiling Point 224.6 °C at 760 mmHg
Molecular Weight 96.0179 Flash Point 103.9 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 2706-75-4 (SODIUM GLYOXYLATE) Hazard Symbols N/A
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;

 

Acetic acid, oxo-,sodium salt (9CI) 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%.

Acetic acid, oxo-,sodium salt (9CI) is used to produce 3-Hydroxy-2-methyl-2,3-dihydro-isoindol-1-one by reaction with N-Methyl-phthalimide.

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.

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