3-Methoxy-1-propanol
Properties
- Molecular formula
- C4H10O2
- Molar mass
- 90.12 g/mol
- Exact mass
- 90.0681 Da
- Density
- 0.9455 g/mL (at 20 °C)
- Boiling point
- 66 °C
- logP
- 0.02Crippen estimate
- Polar surface area
- 29.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation98.2% of notifiers
- H319 Causes serious eye irritation98.2% of notifiers
Aggregated from 109 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
1589-49-7SMILES
COCCCOInChIKey
JDFDHBSESGTDAL-UHFFFAOYSA-NInChI
InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 1-Propanol, 3-methoxy-
- β-Propylene glycol monomethyl ether
- Trimethylene glycol monomethyl ether
- 3-Methoxypropanol
- 3-(Methyloxy)propan-1-ol
- 1-Methoxy-3-hydroxypropane
Work with 3-Methoxy-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4-Methoxy-1-butanol111-32-083 % similar
2-Methoxyethanol109-86-467 % similar
Polyethylene glycol monomethyl ether114740-40-867 % similar
Polyethylene glycol monomethyl ether9004-74-467 % similar
2-(2-Methoxyethoxy)ethanol111-77-355 % similar
Triethylene glycol monomethyl ether112-35-655 % similar
3,6,9,12,15,18-Hexaoxanonadecan-1-ol23601-40-355 % similar
2,5,8,11,14-Pentaoxahexadecan-16-ol23778-52-155 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.