| Identification | More | [Name]
NEOPENTYL ALCOHOL | [CAS]
75-84-3 | [Synonyms]
2,2-DIMETHYL-1-PROPANOL
LABOTEST-BB LT00067775
NEOPENTYL ALCOHOL
TERT-BUTYL CARBINOL
(CH3)3CCH2OH
1-propanol,2,2-dimethyl-
2,2-Dimethyl-1,1-propanol
2,2-dimethyl-1-propano
2,2-dimethyl-propan-1-ol
2,2-Dimethylpropanol
2,2-Dimethylpropyl alcohol
2,2-Dimethylpropylalcohol
2-methyl-isobutanol
alcool2,2-dimethylpropylique
dimethylpropanol(non-specificname)
Neoamyl Alcohol
neoamylalcohol
Neopentanol
Neopentylalkohol
Newamylalcohol | [EINECS(EC#)]
200-907-3 | [Molecular Formula]
C5H12O | [MDL Number]
MFCD00004682 | [Molecular Weight]
88.15 | [MOL File]
75-84-3.mol |
| Chemical Properties | Back Directory | [Appearance]
Amyl alcohols (pentanols) have eight isomers.
All are flammable, colorless liquids, except the isomer 2,2-
dimethyl-1-propanol, which is a crystalline solid. | [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 | [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 | [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]
75-84-3(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R10:Flammable.
R36/37:Irritating to eyes and respiratory system . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
UN 1325 4.1/PG 2
| [WGK Germany ]
1
| [TSCA ]
Yes | [HazardClass ]
4.1 | [PackingGroup ]
III | [HS Code ]
29051990 | [Hazardous Substances Data]
75-84-3(Hazardous Substances Data) |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Propanoic acid, 2,2-dimethyl-, 6-nitro-1H-benzotriazol-1-yl ester-->NEO-PENTYLPIVALATE-->2,4,4-TRIMETHYL-2-PENTANOL-->Vitamin A-->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 |
| Hazard Information | Back Directory | [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. | [First aid]
Skin contact contributes significantly to overall
exposure. If this chemical gets into the eyes, remove any
contact lenses at once and irrigate immediately for at least
15 minutes, occasionally lifting upper and lower lids. Seek
medical attention immediately. If this chemical contacts the
skin, remove contaminated clothing and wash immediately
with soap and water. Seek medical attention immediately.
If this chemical has been inhaled, remove from exposure,
begin rescue breathing (using universal precautions, including
resuscitation mask) if breathing has stopped and CPR if
heart action has stopped. Transfer promptly to a medical
facility. When this chemical has been swallowed, get medical
attention. Give large quantities of water and induce
vomiting. Do not make an unconscious person vomit. | [Shipping]
UN2811 Pentanols, Hazard Class: 3; Labels: 3-
Flammable liquid. UN1987 Alcohols, n.o.s., Hazard Class:
3; Labels: 3-Flammable liquid. | [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. | [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. | [Chemical Properties]
colorless waxy crystalline solid | [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. | [Uses]
It is used in the Mitsunobu reaction of methyl salicylate coupling of sterically hindered substrates. | [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.] |
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