1,3-Dimethyl 2-(2-methylpropyl)propanedioate
Properties
- Molecular formula
- C9H16O4
- Molar mass
- 188.22 g/mol
- Exact mass
- 188.1049 Da
- Boiling point
- 101 °C (at 13 Torr)
- logP
- 0.99Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
39520-24-6SMILES
COC(=O)C(CC(C)C)C(=O)OCInChIKey
GAZFDPSEEIVCEX-UHFFFAOYSA-NInChI
InChI=1S/C9H16O4/c1-6(2)5-7(8(10)12-3)9(11)13-4/h6-7H,5H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Propanedioic acid, 2-(2-methylpropyl)-, 1,3-dimethyl ester
- Propanedioic acid, (2-methylpropyl)-, dimethyl ester
- Dimethyl isobutylmalonate
- Dimethyl 2-isobutylmalonate
Work with 1,3-Dimethyl 2-(2-methylpropyl)propanedioate
Similar compounds
Methyl isobutyrate547-63-758 % similar
D-Leucine methyl ester hydrochloride5845-53-458 % similar
Leucine methyl ester hydrochloride7517-19-358 % similar
1,3-Dimethyl 2-ethylpropanedioate26717-67-958 % similar
Diethyl isobutylmalonate10203-58-457 % similar
Dimethyl succinylsuccinate6289-46-956 % similar
Dimethyl methylmalonate609-02-952 % similar
1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-152 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.