|
| | NEOPENTYL ALCOHOL Basic information |
| Product Name: | NEOPENTYL ALCOHOL | | Synonyms: | dimethylpropanol(non-specificname);Neoamyl Alcohol;neoamylalcohol;Neopentanol;Neopentylalkohol;Newamylalcohol;LABOTEST-BB LT00067775;2,2-DIMETHYL-1-PROPANOL | | CAS: | 75-84-3 | | MF: | C5H12O | | MW: | 88.15 | | EINECS: | 200-907-3 | | Product Categories: | 1 | | Mol File: | 75-84-3.mol |  |
| | NEOPENTYL ALCOHOL Chemical Properties |
| Melting point | 52-56 °C(lit.) | | Boiling point | 113-114 °C(lit.) | | density | 0.818 g/mL at 25 °C(lit.) | | vapor pressure | 16 mm Hg ( 20 °C) | | refractive index | 1.3915 | | Fp | 98 °F | | storage temp. | Flammables area | | pka | 15.24±0.10(Predicted) | | form | Waxy Crystalline Solid | | color | Colorless | | Specific Gravity | 0.818 | | Water Solubility | 3.5 G/100 ML AT 25 ºC | | Merck | 14,6457 | | BRN | 1730984 | | InChIKey | KPSSIOMAKSHJJG-UHFFFAOYSA-N | | LogP | 1.310 | | CAS DataBase Reference | 75-84-3(CAS DataBase Reference) | | NIST Chemistry Reference | 1-Propanol, 2,2-dimethyl-(75-84-3) | | EPA Substance Registry System | Neopentyl alcohol (75-84-3) |
| | NEOPENTYL ALCOHOL Usage And Synthesis |
| Chemical Properties | colorless waxy crystalline solid | | Chemical Properties | Amyl alcohols (pentanols) have eight isomers.
All are flammable, colorless liquids, except the isomer 2,2-
dimethyl-1-propanol, which is a crystalline solid. | | Uses | It is used in the Mitsunobu reaction of methyl salicylate coupling of sterically hindered substrates. | | Uses | - 2,2-Dimethyl-1-propanol can be used in the synthesis of surfactant that stabilize reduced graphene oxide (rGO) dispersion.
- Biodiesel containing branched-chain esters prepared by the transesterification of vegetable oils with 2,2-dimethyl-1-propanol has been reported to show lower crystallization temperature when compared to methyl and ethyl ester counterparts.
| | Potential Exposure | (n-isomer); Suspected reprotoxic hazard,
Primary irritant (w/o allergic reaction), (iso-, primary):
Possible risk of forming tumors, Primary irritant (w/o allergic
reaction), (sec-, active primary-, and other isomers)
Primary irritant (w/o allergic reaction). Used as a solvent in
organic synthesis and synthetic flavoring, pharmaceuticals,
corrosion inhibitors; making plastics and other chemicals;
as a flotation agent. The (n-isomer) is used in preparation
of oil additives, plasticizers, synthetic lubricants, and as a
solvent. | | Shipping | UN2811 Pentanols, Hazard Class: 3; Labels: 3-
Flammable liquid. UN1987 Alcohols, n.o.s., Hazard Class:
3; Labels: 3-Flammable liquid. | | Purification Methods | It is difficult to distil because it is a solid at ambient temperatures. Purify it by fractional crystallisation and sublimation. [Beilstein 1 IV 1690.] | | Incompatibilities | Forms an explosive mixture with air.
Contact with strong oxidizers and hydrogen trisulfide may
cause fire and explosions. Incompatible with strong acids.
Violent reaction with alkaline earth metals forming hydrogen,
a flammable gas. | | Waste Disposal | Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator
equipped with an afterburner and scrubber. All federal,
state, and local environmental regulations must be
observed. |
| | NEOPENTYL ALCOHOL Preparation Products And Raw materials |
| Raw materials | Propanoic acid, 2,2-dimethyl-, 6-nitro-1H-benzotriazol-1-yl ester-->NEO-PENTYLPIVALATE-->2,4,4-TRIMETHYL-2-PENTANOL-->all-trans-Retinol-->Ethyl trimethylacetate-->Retinal-->2,2,4-Trimethylpentane-->PIVALAMIDE-->Pivaloyl chloride-->Pivaldehyde-->Methyl trimethylacetate-->Pivalic acid | | Preparation Products | Neopentyl iodide-->Octylamine-->2,2-DIMETHYL-3-HEXANOL-->N-(3-methoxyphenyl)-2-morpholin-4-yl-2-oxo-acetamide-->2,2,2'-TRIMETHYLPROPIONANILIDE |
|
