dec-3-yn-1-ol

• ChemBase ID: 106762
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: CCCCCCC#CCCO
• Canonical SMILES: CCCCCCC#CCCO
• InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-6,9-10H2,1H3
• InChIKey: YGEQBZUDPQQIFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-3-yn-1-ol
• IUPAC Traditional name: dec-3-yn-1-ol
• Synonyms: 3-DECYN-1-OL; 3-Decyn-1-ol; 3-癸炔-1-醇

Database IDs

• CAS Number: 51721-39-2
• MDL Number: MFCD00040917
• Beilstein Number: 1750909
• PubChem SID: 24866451; 162090106
• PubChem CID: 103940

CALCULATED PROPERTIES

• Acid pKa: 16.1264
• 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: 129-130°C/20mm; 130-131 °C/22 mmHg(lit.)
• Flash Point: 106°C(222°F); 107 °C; 224.6 °F
• Density: 0.871; 0.877 g/mL at 25 °C(lit.)
• Refractive Index: 1.4590; n20/D 1.459(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 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)5C≡CCH2CH2OH

DETAILS

MP Biomedicals - 05201343

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 422754

Packaging
5 g in glass bottle