tridecan-2-ol

• ChemBase ID: 109517
• Molecular Formular: C13H28O
• Molecular Mass: 200.36082
• Monoisotopic Mass: 200.21401552
• SMILES: CCCCCCCCCCCC(C)O
• Canonical SMILES: CCCCCCCCCCCC(O)C
• InChI: InChI=1S/C13H28O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13-14H,3-12H2,1-2H3
• InChIKey: HKOLRKVMHVYNGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridecan-2-ol
• IUPAC Traditional name: 2-tridecanol
• Synonyms: METHYLUNDECYLCARBINOL; Methyl undecyl carbinol; 2-Tridecanol; 2-十三醇

Database IDs

• CAS Number: 1653-31-2
• EC Number: 216-723-1
• MDL Number: MFCD00037601
• Beilstein Number: 1720217
• PubChem SID: 162095170
• PubChem CID: 15449

CALCULATED PROPERTIES

• Acid pKa: 17.683062
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.778446
• LogD (pH = 7.4): 4.778446
• Log P: 4.778446
• Molar Refractivity: 63.3617 cm^3
• Polarizability: 25.321913 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 23-26°C
• Boiling Point: 265°C
• Density: 0.83
• Refractive Index: 1.4430

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05211402

MP Biomedicals Rare Chemical collection