Neopentyl alcohol

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Names

[ CAS No. ]:
75-84-3

[ Name ]:
Neopentyl alcohol

[Synonym ]:
2,2-dimethylpropan-1-ol
tert-Butylcarbinol
MFCD00004682
Neoamyl alcohol
neopentanol
1-Propanol, 2,2-dimethyl-
2,2-Dimethylpropyl alcohol
EINECS 200-907-3
2,2-Dimethyl-1-propanol
Neopentyl alcohol
Neopentylalcohol

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
113.1±0.0 °C at 760 mmHg

[ Melting Point ]:
52-56 °C(lit.)

[ Molecular Formula ]:
C₅H₁₂O

[ Molecular Weight ]:
88.148

[ Flash Point ]:
36.7±0.0 °C

[ Exact Mass ]:
88.088814

[ PSA ]:
20.23000

[ LogP ]:
1.04

[ Vapour Pressure ]:
10.8±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.407

[ Storage condition ]:
Flammables area

[ Water Solubility ]:
3.5 G/100 ML AT 25 ºC

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H228-H319-H335

[ Precautionary Statements ]:
P210-P305 + P351 + P338-P370 + P378

[ Personal Protective Equipment ]:
Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
F:Flammable;

[ Risk Phrases ]:
R11

[ Safety Phrases ]:
S16-S26-S36/37

[ RIDADR ]:
UN 1325 4.1/PG 2

[ WGK Germany ]:
1

[ Packaging Group ]:
III

[ Hazard Class ]:
4.1

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Pivaloyl chloride
Vitamin A
Pivaldehyde
Ethyl pivalate
Formaldehyde
tert-butyl chloride
Pivalic acid
6-nitro-1H-benzo[d][1,2,3]triazol-1-yl pivalate
2,2-Dimethylpropanamide
Methyl pivalate

DownStream

Pentylsulfate
1-Methoxy-2,2-dimethylpropane
n,n-dimethylformamide dineopentyl acetal
3-Pyridinecarboxamide,4-methyl-
2,2-Dimethylbutanoic acid
tri-neo-pentylphosphite
Neopentyl 4-bromobenzenesulfonate
2,2-dimethylpropyl ethyl phosphate
3-Hexanol, 2,2-dimethyl-
2-Bromo-3-methylbutane

Articles

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...