dodecan-4-ol

• ChemBase ID: 109281
• Molecular Formular: C12H26O
• Molecular Mass: 186.33424
• Monoisotopic Mass: 186.19836545
• SMILES: CCCCCCCCC(O)CCC
• Canonical SMILES: CCCCCCCCC(CCC)O
• InChI: InChI=1S/C12H26O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h12-13H,3-11H2,1-2H3
• InChIKey: ZGSIAHIBHSEKPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecan-4-ol
• IUPAC Traditional name: dodecan-4-ol
• Synonyms: 4-DODECANOL; n-Octyl-n-propyl carbinol; 4-Dodecanol; 4-十二醇

Database IDs

• CAS Number: 10203-32-4
• EC Number: 233-502-5
• MDL Number: MFCD00014413
• Beilstein Number: 1738597
• PubChem SID: 162095005
• PubChem CID: 66291

CALCULATED PROPERTIES

• Acid pKa: 18.516277
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.4118314
• LogD (pH = 7.4): 4.4118314
• Log P: 4.4118314
• Molar Refractivity: 58.6837 cm^3
• Polarizability: 23.4756 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 11-12°C
• Boiling Point: 130-132°C/19mm
• Density: 0.829
• Refractive Index: 1.4400

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05210449

MP Biomedicals Rare Chemical collection