methyl 12-hydroxyoctadec-9-enoate

• ChemBase ID: 104595
• Molecular Formular: C19H36O3
• Molecular Mass: 312.48734
• Monoisotopic Mass: 312.26644501
• SMILES: CCCCCCC(O)C/C=C/CCCCCCCC(=O)OC
• Canonical SMILES: CCCCCCC(C/C=C/CCCCCCCC(=O)OC)O
• InChI: InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3
• InChIKey: XKGDWZQXVZSXAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 12-hydroxyoctadec-9-enoate
• IUPAC Traditional name: methyl 12-hydroxyoctadec-9-enoate
• Synonyms: Methyl ricinoleate; RICINOLEIC ACID METHYL ESTER; METHYL RICINOLEATE

Database IDs

• CAS Number: 141-24-2
• EC Number: 205-472-3
• PubChem SID: 162092786
• PubChem CID: 6032867

CALCULATED PROPERTIES

• LogD (pH = 5.5): 5.542974
• LogD (pH = 7.4): 5.542974
• Log P: 5.542974
• Molar Refractivity: 93.8408 cm^3
• Polarizability: 36.869938 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false
• Acid pKa: 18.401257
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02156553

Purity: 99%

MP Biomedicals - 05216030

MP Biomedicals Rare Chemical collection