1,5-Dimethyl 3-oxopentanedioate
Properties
- Molecular formula
- C7H10O5
- Molar mass
- 174.15 g/mol
- Exact mass
- 174.0528 Da
- Density
- 1.202 g/mL (at 20 °C)
- Boiling point
- 126 °C (at 11 Torr)
- logP
- -0.32Crippen estimate
- Polar surface area
- 69.7 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 4
Hazards
Warning
- H317 May cause an allergic skin reaction97% of notifiers
Aggregated from 67 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501
Identifiers
CAS number
1830-54-2SMILES
COC(=O)CC(=O)CC(=O)OCInChIKey
RNJOKCPFLQMDEC-UHFFFAOYSA-NInChI
InChI=1S/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
18 names · show all
- Pentanedioic acid, 3-oxo-, 1,5-dimethyl ester
- Glutaric acid, 3-oxo-, dimethyl ester
- Pentanedioic acid, 3-oxo-, dimethyl ester
- Dimethyl β-oxoglutarate
- Dimethyl acetonedicarboxylate
- Dimethyl 1,3-acetonedicarboxylate
- Dimethyl 3-oxopentanedioate
- Dimethyl 3-oxoglutarate
- Dimethyl β-ketoglutarate
- Dimethyl 3-ketoglutarate
- Dimethyl 3-oxo-1,5-pentanedioate
- β-Oxoglutaric acid dimethyl ester
- Acetone dicarboxylic acid dimethyl ester
- 3-Oxopentanedioic acid dimethyl ester
- NSC 4677
- Dimethyl 2-oxopropane-1,3-dicarboxylate
- 1,3-Acetonedicarboxylic acid dimethyl ester
- 3-Oxoglutaric acid dimethyl ester
Work with 1,5-Dimethyl 3-oxopentanedioate
Similar compounds
Methyl 3-oxopentanoate30414-53-074 % similar
Dimethyl 3-oxohexanedioate5457-44-374 % similar
Dimethyl malonate108-59-874 % similar
Methyl 4-chloroacetoacetate32807-28-671 % similar
Methyl 4-methoxyacetoacetate41051-15-471 % similar
Methyl 3-oxohexanoate30414-54-168 % similar
Methyl 3-oxoheptanoate39815-78-663 % similar
Methyl acetoacetate105-45-358 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds