(dodecyloxy)sulfonic acid

• ChemBase ID: 3598
• Molecular Formular: C12H26O4S
• Molecular Mass: 266.39744
• Monoisotopic Mass: 266.15518031
• SMILES: S(=O)(=O)(OCCCCCCCCCCCC)O
• Canonical SMILES: CCCCCCCCCCCCOS(=O)(=O)O
• InChI: InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15)
• InChIKey: MOTZDAYCYVMXPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dodecyloxy)sulfonic acid
• IUPAC Traditional name: N-dodecyl sulfate
• Synonyms: Dodecyl Sulfate; Lauryl Casein peptone Broth; Lauryl sulfate Broth; 月桂基酪蛋白胨肉汤; 月桂基硫酸盐肉汤

Database IDs

• MDL Number: MFCD00067711
• Beilstein Number: 1710530
• PubChem SID: 160967036; 46507629
• PubChem CID: 8778

CALCULATED PROPERTIES

JChem

• Acid pKa: -1.4508551
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0404696
• LogD (pH = 7.4): 2.0404584
• Log P: 4.4168572
• Molar Refractivity: 68.9347 cm^3
• Polarizability: 28.167126 Å^3
• Polar Surface Area: 63.6 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 1.77
• LOG S: -4.37
• Solubility (Water): 1.13e-02 g/l

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Grade: for microbiology
• Compostion: casein peptone, 20 g/L; dipotassium hydrogen phosphate, 2.75 g/L; lactose, 5 g/L; potassium dihydrogen phosphate, 2.75 g/L; sodium chloride, 5 g/L; sodium lauryl sulfate, 0.1 g/L
• Suitability: selective for Enterobacter; selective for Escherichia coli and Coliforms; selective for Salmonella
• Shelf Life: (limited shelf life, expiry date on the label)
• Final pH: 6.8±0.2 (25 °C)

DETAILS

DrugBank - DB03967

Drug information: experimental

Sigma Aldrich - 61749

Application
Selective medium acc. to Mallmann and Darby (1941) for the presumptive testing for coliform and their selective enrichment in the examination of water, dairy products and food.Recommended by the "Schweizerisches Lebensmittelbuch" 5th ed., chapter 56A.The difference to Fluka No. 17349 is that Casein Peptone is used (instead of Tryptose)