2-decyltetradecan-1-ol

• ChemBase ID: 149805
• Molecular Formular: C24H50O
• Molecular Mass: 354.6532
• Monoisotopic Mass: 354.38616622
• SMILES: CCCCCCCCCCCCC(CCCCCCCCCC)CO
• Canonical SMILES: CCCCCCCCCCCCC(CCCCCCCCCC)CO
• InChI: InChI=1S/C24H50O/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-25)21-19-17-15-12-10-8-6-4-2/h24-25H,3-23H2,1-2H3
• InChIKey: CAYHVMBQBLYQMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-decyltetradecan-1-ol
• IUPAC Traditional name: 2-decyltetradecan-1-ol
• Synonyms: 2-Decyl-1-tetradecanol; 2-癸基-1-十四醇

Database IDs

• CAS Number: 58670-89-6
• EC Number: 261-385-0
• MDL Number: MFCD00674096
• PubChem SID: 162243967; 24870189
• PubChem CID: 93875

CALCULATED PROPERTIES

• Acid pKa: 17.681559
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 9.6171
• LogD (pH = 7.4): 9.6171
• Log P: 9.6171
• Molar Refractivity: 114.0255 cm^3
• Polarizability: 45.63517 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 17-20 °C(lit.)
• Boiling Point: 271-275 °C/33 mmHg(lit.)
• Flash Point: >113 °C; >235.4 °F
• Density: 0.842 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.457(lit.)

Safety Information

• German water hazard class: nwg
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: CH3(CH2)11CH[(CH2)9CH3]CH2OH

DETAILS

Sigma Aldrich - 464503

Packaging
100 mL in glass bottle