Sodium-t-amylate (14593-46-5)

The IUPAC name of Sodium tert-pentoxide is sodium 2,2-dimethylpropan-1-olate. With the CAS registry number 14593-46-5, it is also named as 2-Butanol, 2-methyl-, sodium salt. The product categories are chemical synthesis; organic bases; synthetic reagents; organic basesmicro / nanoelectronics; solution deposition precursors. It is cream or light tan powder which is sensitive to air, moisture and acid. In addition, Sodium tert-pentoxide is used as pharmaceutical raw materials for organic synthesis. This chemical must be sealed in the container at the normal temperature and avoided direct sunshine.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.64; (6)ACD/BCF (pH 7.4): 3.64; (7)ACD/KOC (pH 7.4): 87.73; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Enthalpy of Vaporization: 40.98 kJ/mol; (12)Vapour Pressure: 10.8 mmHg at 25°C; (13)Rotatable Bond Count: 1; (14)Exact Mass: 110.07076; (15)MonoIsotopic Mass: 110.07076; (16)Topological Polar Surface Area: 23.1; (17)Heavy Atom Count: 7.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so it should kept away from sources of ignition. And it reacts violently with water to liberate extremely flammable gases. Additionally, Sodium tert-pentoxide can cause severe burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of fire use ... (there follows the type of fire-fighting equipment to be used.) In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:[Na+].[O-]CC(C)(C)C
2. InChI:InChI=1/C5H11O.Na/c1-5(2,3)4-6;/h4H2,1-3H3;/q-1;+1
3. InChIKey:YQMLGVNRTAQUFQ-UHFFFAOYAN