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| CAS No.: | 5094-24-6 |
|---|---|
| Name: | SODIUM 2-HYDROXYBUTYRATE |
| Molecular Structure: | |
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| Formula: | C4H7NaO3 |
| Molecular Weight: | 126.088 |
| Synonyms: | Butanoicacid, 2-hydroxy-, monosodium salt (9CI);Butyric acid, 2-hydroxy-, monosodiumsalt (8CI);2-Hydroxybutanoic acid sodium salt;2-Hydroxybutyric acid sodiumsalt;Butanoic acid, 2-hydroxy-, monosodium salt, (?à)-;Butyric acid, 2-hydroxy-, monosodium salt, DL-;DL-a-Hydroxybutyric acid sodium salt;Sodium (DL)-a-hydroxybutyrate;Sodium (?à)-2-hydroxybutyrate;Sodium2-hydroxybutanoate;Sodium 2-hydroxybutyrate;Sodium a-hydroxybutyrate; |
| EINECS: | 225-812-4 |
| Density: | 1.195g/cm3 |
| Melting Point: | 133-135 °C(lit.) |
| Boiling Point: | 238.3 °C at 760 mmHg |
| Flash Point: | 112.2 °C |
| Solubility: | almost transparency |
| Safety: | 22-24/25 |
| PSA: | 60.36000 |
| LogP: | -1.49280 |
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Specification
The CAS register number of Butanoic acid,2-hydroxy-, sodium salt (1:1) is 5094-24-6. It also can be called as 2-Hydroxybutanoic acid sodium salt and the IUPAC name about this chemical is sodium 2-hydroxybutanoate. The molecular formula about this chemical is C4H7NaO3 and the molecular weight is 126.09. It belongs to the following product categories which include Carbonyl Compounds; Carboxylic Acid Salts; Organic Building Blocks and so on.
Physical properties about Butanoic acid,2-hydroxy-, sodium salt (1:1) are: (1)ACD/LogP: -0.17; (2)ACD/LogD (pH 5.5): -2.29; (3)ACD/LogD (pH 7.4): -3.74; (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: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.53 Å2; (12)Flash Point: 112.2 °C; (13)Enthalpy of Vaporization: 55.22 kJ/mol; (14)Boiling Point: 238.3 °C at 760 mmHg; (15)Vapour Pressure: 0.00759 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
If you want to use this chemical, avoid contact with skin and eyes. When you are using it, do not breathe dust. If you want to store it, avoid contact with light in the room temperature. You should keep the container tightly sealed in dry, cool places.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]C(=O)C(O)CC
(2)InChI: InChI=1/C4H8O3.Na/c1-2-3(5)4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1
(3)InChIKey: MOSCXNXKSOHVSQ-REWHXWOFAC
(4)Std. InChI: InChI=1S/C4H8O3.Na/c1-2-3(5)4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1
(5)Std. InChIKey: MOSCXNXKSOHVSQ-UHFFFAOYSA-M