Methyl 3-methoxypropionate

C₅H₁₀O₃CAS 3852-09-3118.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₀O₃
Molar mass: 118.13 g/mol
Exact mass: 118.0630 Da
Density: 1.0148 g/mL (at 15 °C)
Boiling point: 142.8 °C
logP: 0.20Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H226 Flammable liquid and vapor97.6% of notifiers
H302+H332 Harmful if swallowed or if inhaled35.4% of notifiers
H302 Harmful if swallowed54.1% of notifiers
H315 Causes skin irritation15% of notifiers
H319 Causes serious eye irritation76.9% of notifiers
H332 Harmful if inhaled43.2% of notifiers
H335 May cause respiratory irritation57.5% of notifiers
H361d Suspected of damaging the unborn child41.5% of notifiers

Aggregated from 294 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

3852-09-3

SMILES

COCCC(=O)OC

InChIKey

BDJSOPWXYLFTNW-UHFFFAOYSA-N

InChI

InChI=1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

9 names

Propanoic acid, 3-methoxy-, methyl ester
Propionic acid, 3-methoxy-, methyl ester
Methyl β-methoxypropionate
Methyl 3-methoxypropanoate
3-Methoxypropionic acid methyl ester
3-Methoxypropanoic acid methyl ester
NSC 65578
Methyl 3-methoxypripionate
β-Methoxypropionic acid methyl ester

Work with Methyl 3-methoxypropionate

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

Methyl 4-methoxybutyrate29006-01-775 % similar Dimethyl succinate106-65-067 % similar Dimethyl glutarate1119-40-064 % similar Dimethyladipate627-93-061 % similar Dimethyl sebacate106-79-658 % similar Dimethyl octadecanedioate1472-93-158 % similar 1,12-Dimethyl dodecanedioate1731-79-958 % similar Dimethyl pimelate1732-08-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl carbonate105-58-8 Ethylene glycol monomethyl ether acetate110-49-6 (S)-2-Hydroxy-3-methylbutanoic acid17407-55-5 Methyl alpha-hydroxyisobutyrate2110-78-3 3,3-Bisz-(hydroxymethyl)-oxetane2754-18-9 (±)-2-Hydroxy-2-methylbutyric acid3739-30-8 Ethyl 2-methoxyacetate3938-96-3 Methyl (-)-3-hydroxybutyrate3976-69-0

Elsewhere

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