tetradecan-2-ol

• ChemBase ID: 111438
• Molecular Formular: C14H30O
• Molecular Mass: 214.3874
• Monoisotopic Mass: 214.22966558
• SMILES: CCCCCCCCCCCCC(C)O
• Canonical SMILES: CCCCCCCCCCCCC(O)C
• InChI: InChI=1S/C14H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h14-15H,3-13H2,1-2H3
• InChIKey: BRGJIIMZXMWMCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradecan-2-ol
• IUPAC Traditional name: 2-tetradecanol
• Synonyms: TETRADECANOL-2; 2-Tetradecanol; 2-十四醇

Database IDs

• CAS Number: 4706-81-4
• EC Number: 225-192-5
• MDL Number: MFCD00004552
• PubChem SID: 24900429; 162103083
• PubChem CID: 20831

CALCULATED PROPERTIES

• Acid pKa: 17.683062
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.223015
• LogD (pH = 7.4): 5.223015
• Log P: 5.223015
• Molar Refractivity: 67.9627 cm^3
• Polarizability: 27.168322 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 35-36 °C(lit.)
• Flash Point: 113 °C; 235.4 °F

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: CH3(CH2)11CH(OH)CH3

DETAILS

MP Biomedicals - 05219180

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T9627

Packaging
1 g in glass bottle