sodium dodecanoate

• ChemBase ID: 111178
• Molecular Formular: C12H23NaO2
• Molecular Mass: 222.29959
• Monoisotopic Mass: 222.15957426
• SMILES: [Na+].CCCCCCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCC(=O)[O-].[Na+]
• InChI: InChI=1S/C12H24O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1
• InChIKey: BTURAGWYSMTVOW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium dodecanoate
• IUPAC Traditional name: sodium laurate; potassium laurate
• Synonyms: Sodium laurate; Sodium dodecanoate; Sodium dodecanoate; Dodecanoic acid sodium salt; Lauric acid sodium salt; SODIUM LAURATE; 十二烷酸 钠盐; 月桂酸 钠盐

Database IDs

• CAS Number: 629-25-4
• EC Number: 211-082-4
• MDL Number: MFCD00041754
• Beilstein Number: 3574124
• PubChem SID: 24874828; 162096070; 24896462
• PubChem CID: 2735067

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8225026
• LogD (pH = 7.4): 2.0633676
• Log P: 4.478308
• Molar Refractivity: 69.5167 cm^3
• Polarizability: 23.230707 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.31 g/ml

Safety Information

• RTECS: OF0700000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 37/38-41-52
• Safety Statements: 26
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥98.0% (NT); 99-100%
• Grade: purum
• Linear Formula: CH3(CH2)10COONa

DETAILS

MP Biomedicals - 05218065

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 61715

Biochem/physiol Actions
Laruic acid induces liver mitochondrial uncoupling of oxidative phosphorylation by regulating ADP/ATP and aspartate/glutamate antiporters 1.