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HomeProduct name listNEOPENTYL ALCOHOL

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: 2024-12-18 14:08:52
NEOPENTYL ALCOHOL Structural

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)
ghs
Flame
Flammables
GHS02
ghs
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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