(2H29)tetradecan-1-ol

• ChemBase ID: 134731
• Molecular Formular: C14H30O
• Molecular Mass: 214.3874
• Monoisotopic Mass: 214.22966558
• SMILES: CCCCCCCCCCCCCCO
• Canonical SMILES: CCCCCCCCCCCCCCO
• InChI: InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
• InChIKey: HLZKNKRTKFSKGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₂₉)tetradecan-1-ol
• IUPAC Traditional name: (^2H₂₉)tetradecan-1-ol
• Synonyms: 1-Tetradecan-d29-ol; 1-十四醇-d29

Database IDs

• CAS Number: 284474-78-8
• MDL Number: MFCD00673642
• PubChem SID: 24881254; 162229007
• PubChem CID: 16217412

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.2510085
• LogD (pH = 7.4): 5.2510085
• Log P: 5.2510085
• Molar Refractivity: 68.1449 cm^3
• Polarizability: 27.168322 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 38-40 °C(lit.)
• Flash Point: 148 °C; 298.4 °F
• Mass Shift: M+29

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 38
• Safety Statements: 37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H412
• GHS Precautionary statements: P273
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 243.59 by atom % calculation
• Linear Formula: CD3(CD2)12CD2OH

DETAILS

Sigma Aldrich - 589764

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.