2,3-dihydroxypropyl dodecanoate

• ChemBase ID: 102473
• Molecular Formular: C15H30O4
• Molecular Mass: 274.3963
• Monoisotopic Mass: 274.21440944
• SMILES: CCCCCCCCCCCC(=O)OCC(O)CO
• Canonical SMILES: CCCCCCCCCCCC(=O)OCC(CO)O
• InChI: InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3
• InChIKey: ARIWANIATODDMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydroxypropyl dodecanoate
• IUPAC Traditional name: glyceryl laurate
• Synonyms: Monolaurin; Dodecanoic acid-2,3-Dihydorxypropyl ester; 1-Lauroyl-rac-glycerol; 1-Monododecanoyl-rac-glycerol; rac-Glycerol 1-laurate; DL-α-Laurin; GLYCERYL MONOLAURATE; Glyceryl laurate; Monolauroylglycerin; Glycerol monolaurate; Monolaurin; 1-Monolaurin; 1-Monolauroyl-rac-glycerol; DL-α-Laurin; 1-Lauroyl-rac-glycerol; 2,3-Dihydroxypropyl dodecanoate

Database IDs

• CAS Number: 27215-38-9; 142-18-7
• EC Number: 205-526-6
• MDL Number: MFCD00037815
• Beilstein Number: 1726740
• PubChem SID: 24896686; 162089916
• PubChem CID: 14871
• CHEMBL: 510533
• Chemspider ID: 14181
• Unique Ingredient Identifier: Y98611C087
• Wikipedia Title: Monolaurin

CALCULATED PROPERTIES

• Acid pKa: 13.619246
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.3037653
• LogD (pH = 7.4): 3.303765
• Log P: 3.3037653
• Molar Refractivity: 75.7035 cm^3
• Polarizability: 30.367392 Å^3
• Polar Surface Area: 66.76 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C
• RTECS: OF1600000
• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥99%; 95+%