126-30-7 Usage
Chemical Structure
The chemical formula for Neopentyl glycol (NPG) is C5H12O2, and it is a propane-1,3-diol carrying two methyl groups at position 2.Neopentyl glycol is soluble in water, benzene, chloroform, and very soluble in ethanol and diethyl ether. Neopentylglycol (NPG) is a unique polyalcohol offering superior performance advantages in many end-use applications due to its high chemical and thermal stability. It is a unique diol offering superior performance advantages in many end-use applications. These advantages are derived from its chemical structure. The location of the hydroxyl groups on primary carbon atoms allows rapid esterification. Additionally, the two methyl groups, instead of the usual two hydrogen atoms, on the alpha carbon atom are responsible for the high chemical and thermal stability of Neopentylglycol and its derivatives.
Application
Neopentyl glycol is used in the synthesis of polyesters, paints, lubricants, and plasticizers. When used in the manufacture of polyesters, it enhances the stability of the product towards heat, light, and water. By esterification reaction with fatty or carboxylic acids, synthetic lubricating esters with reduced potential for oxidation or hydrolysis, compared to natural esters, can be produced. NPG is used primarily in base resins for coatings. In powder coating formulations, Neopentylglycol offers the additional advantage of providing small differences between the glass transition temperature and melting point. Important areas of application include general metal, appliance, metal furniture, automotive and machinery coatings. Important uses are also found in hydraulic fluids, synthetic lubricant oils, greases, metalworking fluids and aircraft engine lubricants. Other outlets include textiles, pharmaceuticals, pesticides, plasticizers and petroleum.
High quality NPG is shipped as flake, molten and slurry. The high-quality NPG is the component in polyester resins for industrial coatings and fiberglass-reinforced plastics applications, and most polyester resin formulations contain NPG as the sole glycol component, or it is used in conjunction with a modifying glycol to achieve desired properties. NPG is also used in polyester polyols for polyurethane coatings for the automotive, industrial maintenance, transportation, and aerospace markets.
Chemical Properties
white solid
Uses
Different sources of media describe the Uses of 126-30-7 differently. You can refer to the following data:
1. NPG Glycol is used in the synthesis of tetraphenylporphyrins. Also used in the synthesis of Bryostatin 2, a protein kinase modulator.
2. In the manufacture of plasticizers, polyesters, as modifier of alkyd resins.
3. 2,2-Dimethyl-1,3-propanediol may be used in the synthesis of:2,2-dimethyl-1,3-propanediol cyclic phosphorochloridate2,2-dimethyl-1,3-propanediol cyclic phenylphosphonate[1′,3′-(2′,2′-dimethylpropylene)]-2-iodo-3-octyl-5-thienylboronatecyclic carbonate2,2-dimethyl-1,3-propanediol bis(cyclic-2,2-dimethyltrimethylene phosphite)
General Description
White crystalline solid. Melting point 130°C.
Air & Water Reactions
Soluble in water.
Reactivity Profile
2,2-Dimethyl-1,3-propanediol may generate toxic gases in combination of with alkali metals, nitrides, and strong reducing agents. Reacts with inorganic acids and carboxylic acids to form esters plus water. Converted to aldehydes or acids by oxidizing agents. May initiate the polymerization of isocyanates and epoxides.
Health Hazard
May be harmful by ingestion or skin absorption. Causes eye and skin irritation. Material is irritating to mucous membrane and upper respiratory tract. INHALATION: Call for medical aid. Remove to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen.
Fire Hazard
Special Hazards of Combustion Products: Emits toxic fumes under fire condition.
Flammability and Explosibility
Nonflammable
Purification Methods
Crystallise the diol from *benzene or acetone/water (1:1). [Beilstein 1 IV 2551.]
Check Digit Verification of cas no
The CAS Registry Mumber 126-30-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,2 and 6 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 126-30:
(5*1)+(4*2)+(3*6)+(2*3)+(1*0)=37
37 % 10 = 7
So 126-30-7 is a valid CAS Registry Number.
InChI:InChI=1/C5H12O2/c1-2-5(3-6)4-7/h5-7H,2-4H2,1H3
126-30-7Relevant articles and documents
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Nikoletic,M. et al.
, p. 649 - 660 (1967)
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A strategy for generating alkyl radicals from aliphatic esters and lactones via sequential hydrolysis and photoinduced decarboxylation
Saito, Hikaru,Kanetake, Takayuki,Osaka, Kazuyuki,Maeda, Kousuke,Morita, Toshio,Yoshimi, Yasuharu
, p. 1645 - 1648 (2015)
Sequential hydrolysis and photoinduced decarboxylation of methyl aliphatic esters lead to efficient generation of alkyl radicals under mild conditions. The generated alkyl radicals react with a variety of reagents to produce addition, reduction, and substitution products. In addition, the new tin and halogen free process for alkyl radical generation is applicable to a variety of aliphatic esters including those of dipeptides, steroids, saccharides, and lactones.
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Apel,Tollens
, (1896)
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Campbell,Rydon
, p. 3002,3005 (1953)
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Wessely
, p. 66 (1901)
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Preparation method of hydroxypivalaldehyde and application of hydroxypivalaldehyde in preparation of neopentyl glycol
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Paragraph 0039; 0042-0044; 0047-0049; 0052-0053, (2021/02/09)
The invention provides a preparation method of 2,2-dimethyl-3-hydroxypropanal and application thereof in preparation of neopentyl glycol. The 2,2-dimethyl-3-hydroxypropanal is prepared from an epoxy compound by a hydroformylation method. The method has the advantages of good atom economy, low raw material cost, no wastewater generation, and high yield. The invention also provides the application of the 2,2-dimethyl-3-hydroxypropanal in preparation of the neopentyl glycol. The application method circumvents the disadvantages of the conventional methods in the prior art, the reaction system is simple, and the industrial application prospect is excellent.
Photo-Induced ortho-C-H Borylation of Arenes through in Situ Generation of Rhodium(II) Ate Complexes
Araujo Dias, Ant?nio Junio,Nagashima, Yuki,Tanaka, Jin,Tanaka, Ken
supporting information, p. 11325 - 11331 (2021/08/03)
Photoinduced in situ "oxidation"of half-sandwich metal complexes to "high-valent"cationic metal complexes has been used to accelerate catalytic reactions. Here, we report the unprecedented photoinduced in situ "reduction"of half-sandwich metal [Rh(III)] complexes to "low-valent"anionic metal [Rh(II)] ate complexes, which facilitate ligand exchange with electron-deficient elements (diboron). This strategy was realized by using a functionalized cyclopentadienyl (CpA3) Rh(III) catalyst we developed, which enabled the basic group-directed room temperature ortho-C-H borylation of arenes.