dec-4-yne

• ChemBase ID: 295625
• Molecular Formular: C10H18
• Molecular Mass: 138.24992
• Monoisotopic Mass: 138.14085058
• SMILES: CCCCCC#CCCC
• Canonical SMILES: CCCCCC#CCCC
• InChI: InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-7,9H2,1-2H3
• InChIKey: KVUNBQMRRNMQIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-4-yne
• IUPAC Traditional name: dec-4-yne
• Synonyms: n-Pentyl n-propyl acetylene; n-Amyl n-propyl acetylene; 4-Decyne; 4-癸炔

Database IDs

• CAS Number: 2384-86-3
• MDL Number: MFCD00039978
• Beilstein Number: 1698308
• PubChem SID: 180681156
• PubChem CID: 16944

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.494119
• LogD (pH = 7.4): 4.494119
• Log P: 4.494119
• Molar Refractivity: 47.1736 cm^3
• Polarizability: 18.105852 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 75-76°C/20mm
• Flash Point: 52°C(125°F)
• Density: 0.768
• Refractive Index: 1.4340

Safety Information

• UN Number: UN3295
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Hazard statements: H226
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A

Product Information

• Purity: 98%