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75-84-3

75-84-3 Structure

75-84-3 Structure
IdentificationMore
[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 PropertiesBack 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.
[Appearance]

colorless waxy crystalline solid
[Melting point ]

52-56 °C(lit.)
[mp ]

52-56 °C(lit.)
[Boiling point ]

113-114 °C(lit.)
[bp ]

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
[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 DataBack 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 ProductsBack Directory
【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-->ALL-TRANS-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 InformationBack 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.]
Spectrum DetailBack Directory
[Spectrum Detail]

NEOPENTYL ALCOHOL(75-84-3)MS
NEOPENTYL ALCOHOL(75-84-3)1HNMR
NEOPENTYL ALCOHOL(75-84-3)13CNMR
NEOPENTYL ALCOHOL(75-84-3)IR1
NEOPENTYL ALCOHOL(75-84-3)IR2
NEOPENTYL ALCOHOL(75-84-3)IR3
NEOPENTYL ALCOHOL(75-84-3)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Neopentyl alcohol, 99%(75-84-3)
[Alfa Aesar]

Neopentyl alcohol, 99%(75-84-3)
[Sigma Aldrich]

75-84-3(sigmaaldrich)
[TCI AMERICA]

2,2-Dimethyl-1-propanol,>98.0%(GC)(75-84-3)
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