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150-90-3

Basic Information
CAS No.: 150-90-3
Name: Butanedioic acid,sodium salt (1:2)
Molecular Structure:
Molecular Structure of 150-90-3 (Butanedioic acid,sodium salt (1:2))
Formula: C4H4Na2O4
Molecular Weight: 162.05
Synonyms: Butanedioicacid, disodium salt (9CI);Succinic acid, disodium salt (8CI);Disodiumsuccinate;SS 50;Sodium succinate;Soduxin;
EINECS: 205-778-7
Density: 1.46 g/cm3
Melting Point: >300°C
Boiling Point: 236.1 °C at 760 mmHg
Flash Point: 110.9 °C
Solubility: water: 300 g/L (25 °C) white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-24/25
Transport Information:
PSA: 80.26000
LogP: -2.73360
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Sodium succinate is an organic compound with the formula C4H4Na2O4. The IUPAC name of this chemical is disodium butanedioate. With the CAS registry number 150-90-3, it is also named as Monosodium Succinate. The product's classification code is Drug / Therapeutic Agent. Besides, it is a white crystalline powder, which should be stored in a closed place. It is mainly used as a flavoring agent.

Physical properties about Sodium succinate are: (1)ACD/LogP: -0.59; (2)ACD/LogD (pH 5.5): -2.15; (3)ACD/LogD (pH 7.4): -5.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 74.6 Å2; (12)Flash Point: 110.9 °C; (13)Enthalpy of Vaporization: 52.09 kJ/mol; (14)Boiling Point: 236.1 °C at 760 mmHg; (15)Vapour Pressure: 0.0165 mmHg at 25°C.

Preparation: this chemical can be prepared by succinic acid and sodium hydroxide. The reaction temperature is 120 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]C(=O)CCC([O-])=O
(2)InChI: InChI=1/C4H6O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2
(3)InChIKey: ZDQYSKICYIVCPN-NUQVWONBAU
(4)Std. InChI: InChI=1S/C4H6O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2
(5)Std. InChIKey: ZDQYSKICYIVCPN-UHFFFAOYSA-L

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 4500mg/kg (4500mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 1368, 1989.