dec-5-yne

• ChemBase ID: 110234
• Molecular Formular: C10H18
• Molecular Mass: 138.24992
• Monoisotopic Mass: 138.14085058
• SMILES: CCCCC#CCCCC
• Canonical SMILES: CCCCC#CCCCC
• InChI: InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3
• InChIKey: JWBQJUFCNOLNNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-5-yne
• IUPAC Traditional name: 5-decyne
• Synonyms: 5-Decyne; 5-DECYNE; Di-n-butylacetylene; 5-癸炔

Database IDs

• CAS Number: 1942-46-7
• EC Number: 000-000-0
• MDL Number: MFCD00027277
• Beilstein Number: 1697840
• PubChem SID: 162095767; 24878826
• PubChem CID: 16030

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: 177-178°C
• Flash Point: 199.4 °F; 54°C(129°F); 93 °C
• Density: 0.766 g/mL at 25 °C(lit.); 0.770
• Refractive Index: 1.4330; n20/D 1.4340(lit.)

Safety Information

• UN Number: UN3295
• German water hazard class: 3
• 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
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 98%
• Linear Formula: CH3(CH2)3C≡C(CH2)3CH3

DETAILS

MP Biomedicals - 05214201

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 545449

Packaging
25 g in glass bottle