deca-1,9-diyne

• ChemBase ID: 112822
• Molecular Formular: C10H14
• Molecular Mass: 134.21816
• Monoisotopic Mass: 134.10955045
• SMILES: C#CCCCCCCC#C
• Canonical SMILES: C#CCCCCCCC#C
• InChI: InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1-2H,5-10H2
• InChIKey: ILVDYAGPHFWNQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: deca-1,9-diyne
• IUPAC Traditional name: 1,9-decadiyne
• Synonyms: 1,9-DECADIYNE; 1,9-Decadiyne; 1,9-癸二炔

Database IDs

• CAS Number: 1720-38-3
• EC Number: 217-012-9
• MDL Number: MFCD00014926
• Beilstein Number: 1734594
• PubChem SID: 162097644
• PubChem CID: 74400

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.295103
• LogD (pH = 7.4): 3.295103
• Log P: 3.295103
• Molar Refractivity: 44.7354 cm^3
• Polarizability: 16.995882 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80°C; 80-81°C/10mm
• Flash Point: 60°C(140°F)
• Density: 0.822
• Refractive Index: 1.4510

Safety Information

• UN Number: UN3295
• Hazard Class: 3
• Packing Group: III
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Hazard statements: H226

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05226039

MP Biomedicals Rare Chemical collection