hexadecan-2-ol

• ChemBase ID: 108489
• Molecular Formular: C16H34O
• Molecular Mass: 242.44056
• Monoisotopic Mass: 242.26096571
• SMILES: CCCCCCCCCCCCCCC(C)O
• Canonical SMILES: CCCCCCCCCCCCCCC(O)C
• InChI: InChI=1S/C16H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h16-17H,3-15H2,1-2H3
• InChIKey: FVDRFBGMOWJEOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecan-2-ol
• IUPAC Traditional name: 2-hexadecanol
• Synonyms: Methyl tetradecyl carbinol; 2-Hexadecanol; 2-HEXADECANOL; 甲基十四烷基甲醇; 2-十六醇

Database IDs

• CAS Number: 14852-31-4
• EC Number: 238-917-5
• MDL Number: MFCD00004553
• Beilstein Number: 1748421
• PubChem SID: 162095523; 24895769
• PubChem CID: 85779

CALCULATED PROPERTIES

• Acid pKa: 17.683062
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.112152
• LogD (pH = 7.4): 6.112152
• Log P: 6.112152
• Molar Refractivity: 77.1647 cm^3
• Polarizability: 30.861359 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 43-46 °C(lit.)
• Flash Point: 113 °C; 235.4 °F

Safety Information

• German water hazard class: nwg
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%
• Linear Formula: CH3(CH2)13CH(OH)CH3

DETAILS

MP Biomedicals - 05207553

MP Biomedicals Rare Chemical collection

Sigma Aldrich - H6827

Packaging
1, 10 g in glass bottle