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Substance Name: Pivaldehyde
RN: 630-19-3
UNII: SSC20260QW
InChIKey: FJJYHTVHBVXEEQ-UHFFFAOYSA-N

Molecular Formula

  • C5-H10-O

Molecular Weight

  • 86.133
 
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Names and Synonyms

Name of Substance

  • Pivaldehyde

Synonyms

  • 2,2-Dimethylpropanal
  • 2,2-Dimethylpropionaldehyde
  • AI3-33229
  • alpha,alpha-Dimethylpropanal
  • alpha,alpha-Dimethylpropionaldehyde
  • EINECS 211-134-6
  • Neopentanal
  • NSC 22043
  • Pivalaldehyde
  • Pivalic aldehyde
  • Trimethylacetaldehyde
  • UNII-SSC20260QW

Systematic Names

  • 2,2-Dimethylpropanal
  • Pivalaldehyde
  • Propanal, 2,2-dimethyl-

Registry Numbers

CAS Registry Number

  • 630-19-3

FDA UNII

  • SSC20260QW

System Generated Number

  • 0000630193

Structure Descriptors

InChI

1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3

InChIKey

FJJYHTVHBVXEEQ-UHFFFAOYSA-N

Smiles

CC(C)(C)C=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 6 deg C   EXP
Boiling Point 77.5 deg C   EXP
log P (octanol-water) 1.200 (none)   EST
Water Solubility 1.21E+04 mg/L 25 EST
Vapor Pressure 71.2 mm Hg 25 EST
Henry's Law Constant 1.59E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.65E-11 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.