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Neopentyl alcohol information


Neopentyl alcohol[1]
Ball-and-stick model of the neopentyl alcohol molecule
Names
Preferred IUPAC name
2,2-Dimethylpropan-1-ol
Other names
tert-Butyl carbinol
tert-Butylmethanol
Neoamyl alcohol
Neopentanol
Identifiers
CAS Number
  • 75-84-3 checkY
3D model (JSmol)
  • Interactive image
ChEMBL
  • ChEMBL458630
ChemSpider
  • 6164 checkY
ECHA InfoCard 100.000.826 Edit this at Wikidata
EC Number
  • 200-907-3
PubChem CID
  • 6404
UNII
  • 5I067PJD7S checkY
UN number 1325
CompTox Dashboard (EPA)
  • DTXSID9052501 Edit this at Wikidata
InChI
  • InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3 checkY
    Key: KPSSIOMAKSHJJG-UHFFFAOYSA-N checkY
  • InChI=1/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3
    Key: KPSSIOMAKSHJJG-UHFFFAOYAJ
SMILES
  • CC(CO)(C)C
Properties
Chemical formula
C5H12O
Molar mass 88.150 g·mol−1
Density 0.812 g/mL at 20 °C
Melting point 52.5 °C (126.5 °F; 325.6 K)
Boiling point 113.5 °C (236.3 °F; 386.6 K)
Solubility in water
36 g/L
Solubility very soluble in ethanol, diethyl ether
Thermochemistry
Std enthalpy of
formation fH298)
-399.4 kJ·mol−1
Hazards
GHS labelling:[2]
Pictograms
GHS02: FlammableGHS07: Exclamation mark
Signal word
Warning
Hazard statements
H226, H228, H319, H332, H335
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501
Flash point 37 °C (99 °F; 310 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)
Infobox references

Neopentyl alcohol is a compound with formula (CH3)3CCH2OH. It is a colorless solid. The compound is one of the eight isomers of pentyl alcohol.

  1. ^ Lide, David R. (1998), Handbook of Chemistry and Physics (87 ed.), Boca Raton, Florida: CRC Press, pp. 3–228, 5–42, 8–102, 16–22, ISBN 0-8493-0594-2
  2. ^ "Neopentyl alcohol". pubchem.ncbi.nlm.nih.gov.

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