pentadecan-1-ol

• ChemBase ID: 109530
• Molecular Formular: C15H32O
• Molecular Mass: 228.41398
• Monoisotopic Mass: 228.24531564
• SMILES: CCCCCCCCCCCCCCCO
• Canonical SMILES: CCCCCCCCCCCCCCCO
• InChI: InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
• InChIKey: REIUXOLGHVXAEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentadecan-1-ol
• IUPAC Traditional name: 1-pentadecanol
• Synonyms: n-PENTADECANOL; Pentadecan-1-ol; n-Pentadecyl alcohol; Pentadecyl alcohol; 1-Pentadecanol; 十五烷醇; 1-十五醇

Database IDs

• CAS Number: 629-76-5
• EC Number: 211-107-9
• MDL Number: MFCD00004759
• Beilstein Number: 1700695
• PubChem SID: 24865795; 162095225; 24887009
• PubChem CID: 12397

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.695577
• LogD (pH = 7.4): 5.695577
• Log P: 5.695577
• Molar Refractivity: 72.7459 cm^3
• Polarizability: 29.014809 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 41-44 °C(lit.); 42-46 °C; 45-46°C
• Boiling Point: 269-271 °C; 269-271°C
• Flash Point: 112 °C; 233.6 °F

Safety Information

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

Product Information

• Purity: ≥96.0% (GC); 95+%; 99%
• Grade: purum
• Linear Formula: CH3(CH2)14OH

DETAILS

MP Biomedicals - 05211471

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 412228

Packaging
5 g in glass bottle