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Sodium propanolate

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Name

Sodium propanolate

EINECS 229-895-8
CAS No. 6819-41-6 Density 0.866 g/cm3
PSA 23.06000 LogP 0.82690
Solubility N/A Melting Point N/A
Formula C3H7NaO Boiling Point 95.8 °C at 760 mmHg
Molecular Weight 82.0777 Flash Point 15 °C
Transport Information N/A Appearance colorless liquid
Safety 16-26-36 Risk Codes 10-14-34
Molecular Structure Molecular Structure of 6819-41-6 (Sodium propanolate) Hazard Symbols F,C
Synonyms

1-Propanol,sodium salt (9CI);Propyl alcohol, sodium salt (8CI);Sodium propoxide(6CI,7CI);Propanol sodium salt;Sodium 1-propoxide;Sodium n-propoxide;Sodiumpropanolate;Sodium propylate;

Article Data 9

Sodium propanolate Specification

The IUPAC name of Sodium propanolate is sodium propan-1-olate. With the CAS registry number 6819-41-6, it is also named as 1-Propanol, sodium salt. The classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. It is a colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate.

The other characteristics of Sodium propanolate can be summarized as: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 1.07; (6)ACD/BCF (pH 7.4): 1.07; (7)ACD/KOC (pH 5.5): 36.65; (8)ACD/KOC (pH 7.4): 36.65; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)Flash Point: 15 °C; (12)Enthalpy of Vaporization: 41.44 kJ/mol; (13)Boiling Point: 95.8 °C at 760 mmHg; (14)Vapour Pressure: 26.3 mmHg at 25°C; (15)Rotatable Bond Count: 1; (16)Exact Mass: 82.03946; (17)MonoIsotopic Mass: 82.03946; (18)Topological Polar Surface Area: 23.1; (19)Heavy Atom Count: 5; (20)Complexity: 10.9.

When you are using this chemical, please be cautious about it as the following:
It is flammable, so people should keep it away from sources of ignition. And it reacts violently with water and can causes 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.

People can use the following data to convert to the molecule structure.
1. SMILES:[Na+].[O-]CCC
2. InChI:InChI=1/C3H7O.Na/c1-2-3-4;/h2-3H2,1H3;/q-1;+1
3. InChIKey:RCOSUMRTSQULBK-UHFFFAOYAU

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