NEOPENTYL ALCOHOL
Synonym(s):Neopentyl alcohol;Neopentyl alcohol-17O;tert-Butyl carbinol;tert-Butylmethanol;Neoamyl alcohol
- CAS NO.:75-84-3
- Empirical Formula: C5H12O
- Molecular Weight: 88.15
- MDL number: MFCD00004682
- EINECS: 200-907-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-10-31 13:32:20
What is NEOPENTYL ALCOHOL?
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.
The Uses of NEOPENTYL ALCOHOL
It is used in the Mitsunobu reaction of methyl salicylate coupling of sterically hindered substrates.
The Uses of NEOPENTYL ALCOHOL
- 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.
Properties of NEOPENTYL ALCOHOL
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 |
Flash point: | 98 °F |
storage temp. | Flammables area |
form | Waxy Crystalline Solid |
pka | 15.24±0.10(Predicted) |
color | Colorless |
Specific Gravity | 0.818 |
Water Solubility | 3.5 G/100 ML AT 25 ºC |
Merck | 14,6457 |
BRN | 1730984 |
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) |
Safety information for NEOPENTYL ALCOHOL
Signal word | Danger |
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H228:Flammable solids H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. |
Computed Descriptors for NEOPENTYL ALCOHOL
InChIKey | KPSSIOMAKSHJJG-UHFFFAOYSA-N |
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