2-hydroxydecanoic acid

• ChemBase ID: 131675
• Molecular Formular: C10H20O3
• Molecular Mass: 188.264
• Monoisotopic Mass: 188.1412445
• SMILES: CCCCCCCCC(C(=O)O)O
• Canonical SMILES: CCCCCCCCC(C(=O)O)O
• InChI: InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
• InChIKey: GHPVDCPCKSNJDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxydecanoic acid
• IUPAC Traditional name: 2-hydroxy capric acid
• Synonyms: α-Hydroxycapric acid; (±)-2-Hydroxydecanoic acid

Database IDs

• CAS Number: 5393-81-7
• MDL Number: MFCD00083373
• PubChem SID: 24895735; 162225952
• PubChem CID: 21488

CALCULATED PROPERTIES

• Acid pKa: 4.2555575
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4518517
• LogD (pH = 7.4): -0.27679154
• Log P: 2.7181048
• Molar Refractivity: 50.9698 cm^3
• Polarizability: 20.293112 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (capillary GC)