dec-3-yne

• ChemBase ID: 109935
• Molecular Formular: C10H18
• Molecular Mass: 138.24992
• Monoisotopic Mass: 138.14085058
• SMILES: CCCCCCC#CCC
• Canonical SMILES: CCCCCCC#CCC
• InChI: InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-5,7,9-10H2,1-2H3
• InChIKey: JUWXVJKQNKKRLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-3-yne
• IUPAC Traditional name: 3-decyne
• Synonyms: 3-DECYNE; Ethyl n-hexyl acetylene; 3-Decyne; 3-癸炔

Database IDs

• CAS Number: 2384-85-2
• MDL Number: MFCD00039987
• Beilstein Number: 1698698
• PubChem SID: 162095707
• PubChem CID: 75425

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• 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

PROPERTIES

Physical Property

• Boiling Point: 175-176°C
• Flash Point: 56°C(132°F)
• Density: 0.767
• Refractive Index: 1.4350

Safety Information

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

Product Information

• Purity: 98+%

DETAILS

MP Biomedicals - 05213070

MP Biomedicals Rare Chemical collection