dec-5-yn-1-ol

• ChemBase ID: 139297
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: CCCCC#CCCCCO
• Canonical SMILES: CCCCC#CCCCCO
• InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-4,7-10H2,1H3
• InChIKey: RNTNGQCWAKHVKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-5-yn-1-ol
• IUPAC Traditional name: dec-5-yn-1-ol
• Synonyms: 5-Decyn-1-ol; 5-十烯-1-醇

Database IDs

• CAS Number: 68274-97-5
• EC Number: 269-529-4
• MDL Number: MFCD00464353
• PubChem SID: 24878827; 162233545
• PubChem CID: 109957

CALCULATED PROPERTIES

• Acid pKa: 16.850912
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0574405
• LogD (pH = 7.4): 3.0574405
• Log P: 3.0574405
• Molar Refractivity: 49.1023 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: 238 °C(lit.)
• Density: 0.861 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4610(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Linear Formula: CH3(CH2)3C≡C(CH2)3CH2OH

DETAILS

Sigma Aldrich - 545457

Packaging
1 g in glass bottle