Methoxypropane

C4H10OCAS 557-17-574.12 g/mol

Open in Covalent MOL file
O
Ether

Properties

Molecular formula
C4H10O
Molar mass
74.12 g/mol
Exact mass
74.0732 Da
Density
0.7356 g/mL (at 13 °C)
Boiling point
39.1 °C
Critical temperature
198.9 °C (472.0 K)ChemSep
Critical pressure
38.01 barChemSep
Acentric factor
0.277ChemSep
Enthalpy of formation (gas)
−237.90 kJ/molChemSep
logP
1.04Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
557-17-5
SMILES
CCCOC
InChIKey
VNKYTQGIUYNRMY-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 3.45 (t, J = 7.0 Hz, 2H), 3.30 (s, 3H), 1.60 (sext, J = 7.0 Hz, 2H), 0.86 (t, J = 7.0 Hz, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 74.6, 53.9, 23.5, 10.3.
[M + H]+
[M + H]+ Calcd for C4H11O 75.0804
[M + Na]+
[M + Na]+ Calcd for C4H10NaO 97.0624
[M − H]−
[M − H]− Calcd for C4H9O 73.0659
Elemental analysis
Anal. Calcd for C4H10O: C, 64.82; H, 13.60.

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

Names and synonyms

9 names
  • Propane, 1-methoxy-
  • Propyl methyl ether
  • Ether, methyl propyl
  • Methyl propyl ether
  • Methyl n-propyl ether
  • Metopryl
  • Neothyl
  • 1-Methoxypropane
  • α-Methoxypropane

Work with Methoxypropane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butyl methyl ether628-28-465 % similar Hexyl methyl ether4747-07-358 % similar Dimethoxyethane110-71-457 % similar Polyethylene glycol dimethyl ether24991-55-757 % similar Di-n-propyl ether111-43-350 % similar Diglyme111-96-647 % similar Triethylene glycol dimethyl ether112-49-247 % similar Tetraethylene glycol dimethyl ether143-24-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(-)-2-Butanol14898-79-4 (+-)-2-Butanol15892-23-6 (+)-2-Butanol4221-99-2 2-Methoxypropane598-53-8 Diethyl ether60-29-7 1-Butanol71-36-3 tert-Butyl alcohol75-65-0 Isobutanol78-83-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia