octadeca-9,12-dien-1-ol

• ChemBase ID: 104253
• Molecular Formular: C18H34O
• Molecular Mass: 266.46196
• Monoisotopic Mass: 266.26096571
• SMILES: CCCCC/C=C/C/C=C/CCCCCCCCO
• Canonical SMILES: CCCCC/C=C/C/C=C/CCCCCCCCO
• InChI: InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3
• InChIKey: JXNPEDYJTDQORS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadeca-9,12-dien-1-ol
• IUPAC Traditional name: octadeca-9,12-dien-1-ol
• Synonyms: cis, cis-9,12-Octadecadien-1-ol; LINOLEYL ALCOHOL

Database IDs

• CAS Number: 506-43-4
• EC Number: 208-038-1
• PubChem SID: 162091433
• PubChem CID: 5462912

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.30544
• LogD (pH = 7.4): 6.30544
• Log P: 6.30544
• Molar Refractivity: 88.7821 cm^3
• Polarizability: 34.089294 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 0.83 g/ml

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02155253

(cis, cis-9,12-Octadecadien-1-ol) Purity: 99% Sealed ampule. 1 ml = approx. 0.83 g