undec-10-yn-1-ol

• ChemBase ID: 152296
• Molecular Formular: C11H20O
• Molecular Mass: 168.2759
• Monoisotopic Mass: 168.15141526
• SMILES: C#CCCCCCCCCCO
• Canonical SMILES: OCCCCCCCCCC#C
• InChI: InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,12H,3-11H2
• InChIKey: YUQZOUNRPZBQJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undec-10-yn-1-ol
• IUPAC Traditional name: undec-10-yn-1-ol
• Synonyms: 10-Undecyn-1-ol; 1-Undecyn-11-ol; 11-Hydroxy-1-undecyne; Undec-10-yn-1-ol; 10-Undecyn-1-ol; 10-十一炔-1-醇

Database IDs

• CAS Number: 2774-84-7
• MDL Number: MFCD00041675
• Beilstein Number: 1702764
• PubChem SID: 162246441; 24889777
• PubChem CID: 76015

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1101477
• LogD (pH = 7.4): 3.110148
• Log P: 3.110148
• Molar Refractivity: 52.8035 cm^3
• Polarizability: 20.524656 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110-111°C/4mm
• Flash Point: 100 °C; 212 °F
• Density: 0.873; 0.877 g/mL at 20 °C(lit.)
• Refractive Index: 1.4565; n20/D 1.457

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥95.0% (GC); 96%
• Empirical Formula (Hill Notation): C11H20O

DETAILS

Sigma Aldrich - 94195

Packaging
1 mL in glass bottle

Toronto Research Chemicals - U789050

10-Undecyn-1-ol is an acetylenic alcohol with antifungal activity. 10-Undecyn-1-ol is used in the esterification of pentanoic and stearic acids in the presence of various lipase.

REFERENCES

• Neoh, T.L. et al.: J. Agric. Food Chem., 56, 3699 (2008)
• Lie Ken Jie, M.S. et al.: Lipids, 33, 861 (2008)