Meldrum's acid

C₆H₈O₄CAS 2033-24-1144.13 g/mol

Open in Covalent MOL file

Acetal Ester Lactone

Properties

Molecular formula: C₆H₈O₄
Molar mass: 144.13 g/mol
Exact mass: 144.0423 Da
Melting point: 94 °C
Boiling point: 116–120 °C (at 14 Torr)
logP: 0.21Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation39.1% of notifiers
H319 Causes serious eye irritation52.2% of notifiers
H335 May cause respiratory irritation17.4% of notifiers
H400 Very toxic to aquatic life23.9% of notifiers
H411 Toxic to aquatic life with long lasting effects23.9% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

2033-24-1

SMILES

CC1(C)OC(=O)CC(=O)O1

InChIKey

GXHFUVWIGNLZSC-UHFFFAOYSA-N

InChI

InChI=1S/C6H8O4/c1-6(2)9-4(7)3-5(8)10-6/h3H2,1-2H3

Weigh it out

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

Names and synonyms

13 names · show all

1,3-Dioxane-4,6-dione, 2,2-dimethyl-
Malonic acid, cyclic isopropylidene ester
2,2-Dimethyl-1,3-dioxane-4,6-dione
2,2-Propanediol cyclic malonate
Cyclic isopropylidene malonate
2,2-Dimethyl-m-dioxane-4,6-dione
Isopropylidene malonate
2,2-Dimethyl-4,6-dioxo-1,3-dioxane
Meldrumic acid
2,2-Dimethyl-1,3-dioxan-4,6-dione
NSC 688343
NSC 71902
N,N-Dimethyl-1-4-aminobilidine

Reactions

Work with Meldrum's acid

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

1,3-Bis(1,1-dimethylethyl) propanedioate541-16-264 % similar 1-(1,1-Dimethylethyl) 3-methyl propanedioate42726-73-852 % similar 1-(1,1-Dimethylethyl) 3-ethyl propanedioate32864-38-348 % similar tert-Butyl acetoacetate1694-31-146 % similar 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione5617-70-946 % similar 3-(tert-Butoxy)-3-oxopropanoic acid40052-13-945 % similar Dimethyl malonate108-59-843 % similar tert-Butyl propionate20487-40-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(±)-trans-1,2-Cyclobutanedicarboxylic acid1124-13-6 1,1-Cyclopropanedicarboxylic acid monomethyl ester113020-21-6 D-Lactide13076-17-0 Methyl acetopyruvate20577-61-1 Monoethyl fumarate2459-05-4 2-Carboxyethyl acrylate24615-84-7 2-(2-Propen-1-yl)propanedioic acid2583-25-7 L-Lactide homopolymer33135-50-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia