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

• CAS: 126-86-3
• Catalog Number: ACM126863
• Category: Polymer/Macromolecule
• Molecular Weight: 226.35
• Molecular Formula: C14H26O2
• 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
• 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
• XLogP3-AA: 2.7

Custom Q&A

What is the product name of the compound CAS number 126-86-3?

The product name is 2,4,7,9-Tetramethyl-5-decyne-4,7-diol.

What are the synonyms for 2,4,7,9-Tetramethyl-5-decyne-4,7-diol?

One of the synonyms is Surfynol 104.

What is the IUPAC name of the compound?

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

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

The molecular weight is 226.35.

What is the molecular formula of the compound?

The molecular formula is C14H26O2.

What are the physical properties of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol?

It has a boiling point of 255°C, melting point of 42-44ºC, and flash point of 97.3ºC. It appears as waxy-like white crystals and has a density of 0.89.

What are the typical applications of 2,4,7,9-Tetramethyl-5-decyne-4,7-diol?

It is used as a defoaming agent, wetting agent, and intermediate in organic synthesis.

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

The purity is 98%.

What is the InChI Key of the compound?

The InChI Key is LXOFYPKXCSULTL-UHFFFAOYSA-N.

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

It is highly toxic and can be found in acrylic adhesives used for food packaging multilayers manufacturing.