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Catalog Number
ACM126863
Product Name
2,4,7,9-Tetramethyl-5-decyne-4,7-diol
Structure
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.
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.
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