2-(2-hydroxyethoxy)ethyl octadecanoate

• ChemBase ID: 108329
• Molecular Formular: C22H44O4
• Molecular Mass: 372.58236
• Monoisotopic Mass: 372.32395989
• SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCOCCO
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCOCCO
• InChI: InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23/h23H,2-21H2,1H3
• InChIKey: PWVUXRBUUYZMKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-hydroxyethoxy)ethyl octadecanoate
• IUPAC Traditional name: diethylene glycol monostearate
• Synonyms: DIETHYLENE GLYCOL STEARATE

Database IDs

• CAS Number: 106-11-6
• EC Number: 203-363-5
• PubChem SID: 162094033
• PubChem CID: 7788

CALCULATED PROPERTIES

• Acid pKa: 15.121155
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 6.554537
• LogD (pH = 7.4): 6.554537
• Log P: 6.554537
• Molar Refractivity: 108.390495 cm^3
• Polarizability: 43.323677 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 46°C

Safety Information

• RTECS: WI4025000

DETAILS

MP Biomedicals - 05206939

MP Biomedicals Rare Chemical collection