chempirical

3-Methoxybutyl acetate

C7H14O3CAS 4435-53-4146.19 g/mol

Open in Covalent MOL file
OOO
EsterEther

Properties

Molecular formula
C7H14O3
Molar mass
146.19 g/mol
Exact mass
146.0943 Da
Density
0.96 g/mL
Boiling point
135 °C
Flash point
76.7 °C
logP
0.97Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 600 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P271, P304+P340, P319, P403+P233, P405, P501

Identifiers

CAS number
4435-53-4
SMILES
COC(C)CCOC(C)=O
InChIKey
QMYGFTJCQFEDST-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O3/c1-6(9-3)4-5-10-7(2)8/h6H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • 1-Butanol, 3-methoxy-, 1-acetate
  • 1-Butanol, 3-methoxy-, acetate
  • Acetic acid 3-methoxybutyl ester
  • 3-Methoxy-1-butyl acetate
  • 3-Methoxy-n-butyl acetate
  • NSC 15638
  • Butoxyl
  • 3-Methoxy-1-butanol acetate
  • MBA

Work with 3-Methoxybutyl acetate

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

1,3-Butylene glycol diacetate1117-31-370 % similar Isoamyl acetate123-92-260 % similar Glycol diacetate111-55-752 % similar Propylene glycol diacetate623-84-748 % similar Ethylene glycol monomethyl ether acetate110-49-648 % similar 1,3-Diacetoxypropane628-66-048 % similar Butylene glycol diacetate628-67-148 % similar 1,8-Diacetoxy-3,6-dioxaoctane111-21-747 % similar

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

Same formula

Glycidaldehyde diethyl acetal13269-77-7 n-Butyl lactate138-22-7 (3,3-Dimethoxycyclobutyl)methanol175021-11-1 3-(tert-Butoxy)propionic acid21150-73-2 Methyl 3-hydroxyhexanoate21188-58-9 2-(Oxan-2-yloxy)ethan-1-ol2162-31-4 Tetrahydrofurfuryl polyethylene glycol31692-85-0 (4S)-(+)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane32233-43-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook