dec-2-yn-1-ol

• ChemBase ID: 112830
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: CCCCCCCC#CCO
• Canonical SMILES: CCCCCCCC#CCO
• InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-7,10H2,1H3
• InChIKey: GFLHGTKUCYPXHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-2-yn-1-ol
• IUPAC Traditional name: dec-2-yn-1-ol
• Synonyms: 2-DECYN-1-OL; Dec-2-yn-1-ol; 2-Decyn-1-ol; 2-癸炔-1-醇

Database IDs

• CAS Number: 4117-14-0
• MDL Number: MFCD00041567
• PubChem SID: 162098377; 24885030
• PubChem CID: 77763

CALCULATED PROPERTIES

• Acid pKa: 13.552815
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2133482
• LogD (pH = 7.4): 3.2133477
• Log P: 3.2133482
• Molar Refractivity: 48.9483 cm^3
• Polarizability: 18.679144 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 114-116°C; 70 °C/0.01 mmHg
• Flash Point: >110 °C; >230 °F
• Density: 0.853 g/mL at 25 °C
• Refractive Index: n20/D 1.4585

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%; 97%
• Linear Formula: CH3(CH2)6C≡CCH2OH

DETAILS

MP Biomedicals - 05226050

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 669229

Packaging
5, 25 g in glass bottle