2,4,7,9-Tetramethyl-5-decyne-4,7-diol

• Catalog Number: ACM126863
• Product Name: 2,4,7,9-Tetramethyl-5-decyne-4,7-diol
• CAS: 126-86-3
• Category: Polymer/Macromolecule
• Description: An acetylene glycol derivative used in water-based coatings and has both antifoaming and surfactant properties. It is highly toxic and have been found in acrylic adhesives used for food packaging multilayers manufacturing.
• Synonyms: Surfynol 104
• IUPAC Name: 2,4,7,9-tetramethyldec-5-yne-4,7-diol
• Molecular Weight: 226.35
• Molecular Formula: C14H26O2
• Canonical SMILES: CC(C)CC(C)(O)C#CC(C)(O)CC(C)C
• InChI Key: LXOFYPKXCSULTL-UHFFFAOYSA-N
• Boiling Point: 255 °C / 760 mmHg
• Melting Point: 42-44ºC
• Flash Point: 97.3ºC
• Density: 0.89
• Appearance: Waxy-like white crystal
• Complexity: 256
• Defined Atom Stereocenter Count: 0
• EC Number: 204-809-1
• Exact Mass: 226.1932
• Formal Charge: 0
• Hazard Codes: Xi
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 16
• HS Code: 2905399090
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• LogP: 2.58400
• MDL Number: MFCD00008942
• Monoisotopic Mass: 226.1932
• Packing Group: III
• Physical State: Solid
• PSA: 4.46
• Refractive Index: 1.479
• RIDADR: UN 3077
• Rotatable Bond Count: 6
• Safety Description: S26-S39-S61
• Storage Conditions: Keep in a cool, dry location in a tightly sealed container.
• Topological Polar Surface Area: 40.5 Ų
• Vapor Pressure: 0.00296mmHg at 25°C
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol?

The molecular formula of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol is C14H26O2.

What is the molecular weight of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol?

The molecular weight of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol is 226.35 g/mol.

What is the IUPAC name of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol?

The IUPAC name of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol is 2,4,7-tetramethyldec-5-yne-4,7-diol.

What is the Canonical SMILES of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol?

The Canonical SMILES of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol is CC(C)CC(C)(C#CC(C)(CC(C)C)O)O.

What is the InChI of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol?

The InChI of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol is InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3.

What is the InChIKey of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol?

The InChIKey of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol is LXOFYPKXCSULTL-UHFFFAOYSA-N.

What is the CAS number of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol?

The CAS number of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol is 126-86-3.

How many hydrogen bond donor counts does 2,4,7,9-Tetramethyl-5-decyne-4,7-diol have?

2,4,7,9-Tetramethyl-5-decyne-4,7-diol has 2 hydrogen bond donor counts.

How many rotatable bond counts does 2,4,7,9-Tetramethyl-5-decyne-4,7-diol have?

2,4,7,9-Tetramethyl-5-decyne-4,7-diol has 6 rotatable bond counts.