chempirical

2-Isopropoxyethanol

C5H12O2CAS 109-59-1104.15 g/mol

Open in Covalent MOL file
OOH
AlcoholEther

Properties

Molecular formula
C5H12O2
Molar mass
104.15 g/mol
Exact mass
104.0837 Da
Density
0.903 g/mL (at 20 °C)
Boiling point
144 °C (at 743 Torr)
logP
0.40Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
109-59-1
SMILES
CC(C)OCCO
InChIKey
HCGFUIQPSOCUHI-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

16 names · show all
  • Ethanol, 2-(1-methylethoxy)-
  • Ethanol, 2-isopropoxy-
  • 2-(1-Methylethoxy)ethanol
  • Dowanal EiPAT
  • Ethylene glycol isopropyl ether
  • Ethylene glycol monisopropyl ether
  • Ethylene glycol monoisopropyl ether
  • β-Hydroxyethyl isopropyl ether
  • Isopropyl cellosolve
  • Isopropyl oxitol
  • Ucar AC
  • 2-Isopropyloxyethanol
  • NSC 1259
  • 2-[(1-Methylethyl)oxy]ethanol
  • 2-(Propan-2-yloxy)ethanol
  • 2-(Propan-2-yloxy)ethan-1-ol

Work with 2-Isopropoxyethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Isopropoxypropylamine2906-12-944 % similar Ethoxylated glycerol31694-55-044 % similar 2-Methoxyethanol109-86-441 % similar Polyethylene glycol monomethyl ether114740-40-841 % similar Polyethylene glycol monomethyl ether9004-74-441 % similar Diethylene glycol111-46-640 % similar 2-[(1-Methylethoxy)methyl]oxirane4016-14-239 % similar Triethylene glycol112-27-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,5-Pentanediol111-29-5 4-Methoxy-1-butanol111-32-0 3-Ethoxy-1-propanol111-35-3 Neopentyl glycol126-30-7 1-Ethoxy-2-propanol1569-02-4 (2R)-2-Methyl-1,4-butanediol22644-28-6 3-Methoxybutanol2517-43-3 3-Methyl-1,3-butanediol2568-33-4

Elsewhere

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