chempirical

3-Butoxy-1-propanol

C7H16O2CAS 10215-33-5132.20 g/mol

Open in Covalent MOL file
OOH
AlcoholEther

Properties

Molecular formula
C7H16O2
Molar mass
132.20 g/mol
Exact mass
132.1150 Da
Boiling point
43–45 °C (at 0.1 Torr)
logP
1.19Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
10215-33-5
SMILES
CCCCOCCCO
InChIKey
NTKBNCABAMQDIG-UHFFFAOYSA-N
InChI
InChI=1S/C7H16O2/c1-2-3-6-9-7-4-5-8/h8H,2-7H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • 1-Propanol, 3-butoxy-
  • 3-Butoxypropanol
  • 3-n-Butoxy-1-propanol
  • NSC 221254

Work with 3-Butoxy-1-propanol

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-(Hexadecyloxy)propan-1-ol23377-40-482 % similar 2-Butoxyethanol111-76-281 % similar Deg monobutyl ether112-34-577 % similar Triethylene glycol monobutyl ether143-22-677 % similar Dibutyl ether142-96-168 % similar 2-Hexoxyethanol112-25-467 % similar 2-(Octadecyloxy)ethanol2136-72-367 % similar Polyethylene glycol lauryl ether6540-99-467 % similar

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

Same formula

2,2-Diethyl-1,3-propanediol115-76-4 2,2-Diethoxypropane126-84-1 2-N-Butylpropane-1,3-diol2612-26-2 1-Butoxy-2-propanol5131-66-8 1,7-Heptanediol629-30-1 2-Methyl-2-propyl-1,3-propanediol78-26-2

Elsewhere

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