1-(1,1-Dimethylethyl) 3-ethyl propanedioate
Properties
- Molecular formula
- C9H16O4
- Molar mass
- 188.22 g/mol
- Exact mass
- 188.1049 Da
- Boiling point
- 93–95 °C (at 17 Torr)
- logP
- 1.28Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 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
32864-38-3SMILES
CCOC(=O)CC(=O)OC(C)(C)CInChIKey
OCOBFMZGRJOSOU-UHFFFAOYSA-NInChI
InChI=1S/C9H16O4/c1-5-12-7(10)6-8(11)13-9(2,3)4/h5-6H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Propanedioic acid, 1-(1,1-dimethylethyl) 3-ethyl ester
- Malonic acid, tert-butyl ethyl ester
- Propanedioic acid, 1,1-dimethylethyl ethyl ester
- tert-Butyl ethyl malonate
- Ethyl tert-butyl malonate
- NSC 69070
- Ethyl (2-tert-butoxycarbonyl)acetate
- Ethyl 3-(tert-butoxy)-3-oxopropanoate
- tert-Butyl ethyl propanedioate
- Malonic acid tert-butyl ethyl ester
- 1-tert-Butyl 3-ethyl propanedioate
- 3-O-tert-Butyl 1-O-ethyl propanedioate
Reactions
Work with 1-(1,1-Dimethylethyl) 3-ethyl propanedioate
Similar compounds
Diethyl malonate105-53-368 % similar
1-(1,1-Dimethylethyl) 3-methyl propanedioate42726-73-860 % similar
Ethyl pivaloylacetate17094-34-758 % similar
Diethyl 1,3-acetonedicarboxylate105-50-055 % similar
tert-Butyl propionate20487-40-555 % similar
Mono-tert-butyl malonate40052-13-953 % similar
Monoethyl malonate1071-46-150 % similar
Ethyl 3-chloro-3-oxopropanoate36239-09-550 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds