Sodium 2-ethylhexanoate

• CAS: 19766-89-3
• Catalog Number: ACM19766893
• Category: Micro/NanoElectronics
• Molecular Weight: 166.19
• Molecular Formula: C8H15NaO2
• Description: Liquid
• Synonyms: 2-Ethylcaproic
• IUPAC Name: Sodium;2-ethylhexanoate
• Canonical SMILES: CCCCC(CC)C(=O)[O-].[Na+]
• InChI: InChI=1S/C8H16O2.Na/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
• InChI Key: VYPDUQYOLCLEGS-UHFFFAOYSA-M
• Boiling Point: 157 °C
• Melting Point: >300 °C(lit.)
• Density: 1.07 g/cm³ at 20 °C
• Solubility: Soluble in water
• Appearance: White to off-white solid
• Storage: Inert atmosphere, room temperature
• Active Content: 97%
• Complexity: 104
• Covalently-Bonded Unit Count: 2
• EC Number: 243-283-8
• Exact Mass: 166.09697400
• Formal Charge: 0
• Hazard Statements: Xi
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 11
• Monoisotopic Mass: 166.09697400
• Physical State: Solid
• pKa: 4.82 (at 20 °C)
• Rotatable Bond Count: 5
• Safety Description: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .; S36:Wear suitable protective clothing .
• Topological Polar Surface Area: 40.1 Ų
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Sodium 2-ethylhexanoate?

The molecular formula of Sodium 2-ethylhexanoate is C8H15NaO2.

What is the molecular weight of Sodium 2-ethylhexanoate?

The molecular weight of Sodium 2-ethylhexanoate is 166.19 g/mol.

What are the synonyms of Sodium 2-ethylhexanoate?

Some synonyms of Sodium 2-ethylhexanoate include Hexanoic acid, 2-ethyl-, sodium salt and 2-Ethylhexanoic acid sodium salt.

What is the IUPAC name of Sodium 2-ethylhexanoate?

The IUPAC name of Sodium 2-ethylhexanoate is sodium;2-ethylhexanoate.

What is the Canonical SMILES of Sodium 2-ethylhexanoate?

The Canonical SMILES of Sodium 2-ethylhexanoate is CCCCC(CC)C(=O)[O-].[Na+].

What is the InChIKey of Sodium 2-ethylhexanoate?

The InChIKey of Sodium 2-ethylhexanoate is VYPDUQYOLCLEGS-UHFFFAOYSA-M.

What is the CAS number of Sodium 2-ethylhexanoate?

The CAS number of Sodium 2-ethylhexanoate is 19766-89-3.

What is the hydrogen bond acceptor count of Sodium 2-ethylhexanoate?

The hydrogen bond acceptor count of Sodium 2-ethylhexanoate is 2.

What is the exact mass of Sodium 2-ethylhexanoate?

The exact mass of Sodium 2-ethylhexanoate is 166.09697400 g/mol.

How many rotatable bond counts does Sodium 2-ethylhexanoate have?

Sodium 2-ethylhexanoate has 5 rotatable bond counts.