1-Methyl 2,2-dimethylbutanedioate
Properties
- Molecular formula
- C7H12O4
- Molar mass
- 160.17 g/mol
- Exact mass
- 160.0736 Da
- Melting point
- 37–41 °C
- Boiling point
- 104 °C (at 1.5 Torr)
- logP
- 0.66Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% 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
32980-26-0SMILES
COC(=O)C(C)(C)CC(=O)OInChIKey
NENLLFGJFVVZEU-UHFFFAOYSA-NInChI
InChI=1S/C7H12O4/c1-7(2,4-5(8)9)6(10)11-3/h4H2,1-3H3,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Butanedioic acid, 2,2-dimethyl-, 1-methyl ester
- Succinic acid, 2,2-dimethyl-, 1-methyl ester
- 3-Carbomethoxy-3-methylbutanoic acid
- 1-Methyl 2,2-dimethylsuccinate
- 2,2-Dimethylbutanedioic acid 1-methyl ester
- 4-Methoxy-3,3-dimethyl-4-oxobutanoic acid
Work with 1-Methyl 2,2-dimethylbutanedioate
Similar compounds
Methyl 3-hydroxy-2,2-dimethylpropanoate14002-80-358 % similar
2,2-Dimethylsuccinic acid597-43-355 % similar
Methyl 1-methylcyclopropane-1-carboxylate6206-25-348 % similar
3,3-Dimethylbutanoic acid1070-83-347 % similar
3,3-Dimethylglutaric acid4839-46-747 % similar
Methyl alpha-hydroxyisobutyrate2110-78-344 % similar
3-Hydroxy-3-methylglutaric acid503-49-144 % similar
3-Hydroxyisovaleric acid625-08-144 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.