chempirical

3-Methoxybutanol

C5H12O2CAS 2517-43-3104.15 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
0.92 g/mL
Melting point
−85 °C
Boiling point
160 °C
logP
0.40Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
2517-43-3
SMILES
COC(C)CCO
InChIKey
JSGVZVOGOQILFM-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O2/c1-5(7-2)3-4-6/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

5 names
  • 1-Butanol, 3-methoxy-
  • 3-Methoxy-1-butanol
  • NSC 65580
  • 1,3-Butylene glycol 3-monomethyl ether
  • 3-Methoxybutyl alcohol

Work with 3-Methoxybutanol

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

2-Methoxy-1-propanol1589-47-557 % similar 1,1,3-Trimethoxybutane10138-89-344 % similar Propylene glycol dimethyl ether7778-85-044 % similar Isoamyl alcohol123-51-343 % similar 3-Methyl-1,5-pentanediol4457-71-043 % similar 2-Cyclopropylethanol2566-44-141 % similar 3-Methoxybutyl acetate4435-53-441 % similar 1,3-Butanediol107-88-040 % similar

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

Same formula

2-Isopropoxyethanol109-59-1 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-Methyl-1,3-butanediol2568-33-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook