Methyl 3,3-dimethoxypropionate

C₆H₁₂O₄CAS 7424-91-1148.16 g/mol

Open in Covalent MOL file

Acetal Ester Ether

Properties

Molecular formula: C₆H₁₂O₄
Molar mass: 148.16 g/mol
Exact mass: 148.0736 Da
Density: 1.0445 g/mL (at 20 °C)
Boiling point: 77 °C (at 20 Torr)
logP: 0.17Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Warning

H227 Combustible liquid28.6% of notifiers
H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

7424-91-1

SMILES

COC(=O)CC(OC)OC

InChIKey

SMCVPMKCDDNUCQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O4/c1-8-5(7)4-6(9-2)10-3/h6H,4H2,1-3H3

Weigh it out

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

Names and synonyms

9 names

Propanoic acid, 3,3-dimethoxy-, methyl ester
Malonaldehydic acid, methyl ester dimethyl acetal
Propionic acid, 3,3-dimethoxy-, methyl ester
Methyl β,β-dimethoxypropionate
Methyl formylacetate dimethyl acetal
Methyl 3,3-dimethoxypropanoate
3,3-Dimethoxypropionic acid methyl ester
NSC 92715
Methyl 3,3-bis(methoxy)propanoate

Work with Methyl 3,3-dimethoxypropionate

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

Dimethyl 3-methylglutarate19013-37-760 % similar Methyl isovalerate556-24-160 % similar 1,5-Dimethyl 3-hydroxypentanedioate7250-55-758 % similar 4,4-Dimethoxy-2-butanone5436-21-554 % similar Methyl (-)-3-hydroxybutyrate3976-69-054 % similar Methyl (+)-3-hydroxybutanoate53562-86-054 % similar Dimethyl succinate106-65-052 % similar Dimethyl malonate108-59-852 % similar

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

Same formula

2,2-Bis(hydroxymethyl)butanoic acid10097-02-6 Hydroxypropyl acrylate25584-83-2 Aldehydo-D-digitoxose527-52-6 Methyl 2-deoxy-D-erythro-pentofuranoside60134-26-1

Elsewhere

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