2-hydroxypropyl dodecanoate

• ChemBase ID: 111068
• Molecular Formular: C15H30O3
• Molecular Mass: 258.3969
• Monoisotopic Mass: 258.21949482
• SMILES: CCCCCCCCCCCC(=O)OCC(C)O
• Canonical SMILES: CCCCCCCCCCCC(=O)OCC(O)C
• InChI: InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)18-13-14(2)16/h14,16H,3-13H2,1-2H3
• InChIKey: BHIZVZJETFVJMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxypropyl dodecanoate
• IUPAC Traditional name: 2-hydroxypropyl dodecanoate
• Synonyms: PROPYLENE GLYCOL MONOLAURATE

Database IDs

• CAS Number: 27194-74-7
• PubChem SID: 162096536
• PubChem CID: 14870

CALCULATED PROPERTIES

• Acid pKa: 14.828978
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.350675
• LogD (pH = 7.4): 4.350675
• Log P: 4.350675
• Molar Refractivity: 74.1598 cm^3
• Polarizability: 29.738844 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.905 g/ml

DETAILS

MP Biomedicals - 05217592

MP Biomedicals Rare Chemical collection