dodecyl 2-hydroxypropanoate

• ChemBase ID: 172160
• Molecular Formular: C15H30O3
• Molecular Mass: 258.3969
• Monoisotopic Mass: 258.21949482
• SMILES: C(C(=O)OCCCCCCCCCCCC)(O)C
• Canonical SMILES: CCCCCCCCCCCCOC(=O)C(O)C
• InChI: InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14,16H,3-13H2,1-2H3
• InChIKey: QQQMUBLXDAFBRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecyl 2-hydroxypropanoate
• IUPAC Traditional name: lactic acid dodecylester
• Synonyms: 2-Hydroxypropanoic Acid Dodecyl Ester; Ceraphyl 31; Chrystap HYL 98; Crodamol LL; Cyclochem LVL; Dodecyl Lactate; Lauryl Lactate; NSC 7752; Pelemol LL; Lactic Acid Dodecyl Ester

Database IDs

• CAS Number: 6283-92-7
• PubChem SID: 164228070
• PubChem CID: 22692

CALCULATED PROPERTIES

• Acid pKa: 12.99943
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.554513
• LogD (pH = 7.4): 4.5545115
• Log P: 4.554513
• Molar Refractivity: 74.2905 cm^3
• Polarizability: 29.738844 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - L113510

An α-alkyl lactate used in nanoemulsions for treating fungal, yeast and mold infections.