nonadecan-1-ol

• ChemBase ID: 147160
• Molecular Formular: C19H40O
• Molecular Mass: 284.5203
• Monoisotopic Mass: 284.3079159
• SMILES: CCCCCCCCCCCCCCCCCCCO
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCO
• InChI: InChI=1S/C19H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h20H,2-19H2,1H3
• InChIKey: XGFDHKJUZCCPKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonadecan-1-ol
• IUPAC Traditional name: nonadecanol
• Synonyms: 1-Nonadecanol; 十九烷醇

Database IDs

• CAS Number: 1454-84-8
• EC Number: 215-930-4
• MDL Number: MFCD00002824
• Beilstein Number: 1758190
• PubChem SID: 162241351; 24857252
• PubChem CID: 80281

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 7.4738517
• LogD (pH = 7.4): 7.473852
• Log P: 7.473852
• Molar Refractivity: 91.1499 cm^3
• Polarizability: 36.401302 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 60-61 °C(lit.)

Safety Information

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

Product Information

• Purity: 99%
• Linear Formula: CH3(CH2)18OH

DETAILS

Sigma Aldrich - 286842

Packaging
500 mg in glass bottle