4-Methoxy-1-butanol

C₅H₁₂O₂CAS 111-32-0104.15 g/mol

Open in Covalent MOL file

Alcohol Ether

Properties

Molecular formula: C₅H₁₂O₂
Molar mass: 104.15 g/mol
Exact mass: 104.0837 Da
Density: 0.9954 g/mL (at 18 °C)
Boiling point: 124–125 °C (at 13 Torr)
logP: 0.41Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Warning

H226 Flammable liquid and vapor66.7% of notifiers
H227 Combustible liquid33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

111-32-0

SMILES

COCCCCO

InChIKey

KOVAQMSVARJMPH-UHFFFAOYSA-N

InChI

InChI=1S/C5H12O2/c1-7-5-3-2-4-6/h6H,2-5H2,1H3

Weigh it out

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

Names and synonyms

4 names

1-Butanol, 4-methoxy-
Dowanol BMAT
4-Methoxybutyl alcohol
NSC 245191

Work with 4-Methoxy-1-butanol

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-Methoxy-1-propanol1589-49-783 % similar 2-Methoxyethanol109-86-463 % similar Polyethylene glycol monomethyl ether114740-40-863 % similar Polyethylene glycol monomethyl ether9004-74-463 % similar 2-(2-Methoxyethoxy)ethanol111-77-352 % similar Triethylene glycol monomethyl ether112-35-652 % similar 3,6,9,12,15,18-Hexaoxanonadecan-1-ol23601-40-352 % similar 2,5,8,11,14-Pentaoxahexadecan-16-ol23778-52-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropylethanediol109-59-1 1,5-Pentanediol111-29-5 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 Isopentyldiol2568-33-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook