Methyl 3-oxopentanoate
Properties
- Molecular formula
- C6H10O3
- Molar mass
- 130.14 g/mol
- Exact mass
- 130.0630 Da
- Boiling point
- 73–76 °C (at 16 Torr)
- logP
- 0.53Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- 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 8 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
30414-53-0SMILES
CCC(=O)CC(=O)OCInChIKey
XJMIXEAZMCTAGH-UHFFFAOYSA-NInChI
InChI=1S/C6H10O3/c1-3-5(7)4-6(8)9-2/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Pentanoic acid, 3-oxo-, methyl ester
- Valeric acid, 3-oxo-, methyl ester
- Methyl β-ketovalerate
- Methyl propionylacetate
- Methyl 3-oxovalerate
- 3-Oxopentanoic acid methyl ester
- Methyl propanoylacetate
- 3-Oxovaleric acid methyl ester
- Methyl oxovalerate
Work with Methyl 3-oxopentanoate
Similar compounds
1,5-Dimethyl 3-oxopentanedioate1830-54-274 % similar
Methyl 3-oxohexanoate30414-54-164 % similar
Dimethyl 3-oxohexanedioate5457-44-363 % similar
Methyl propionate554-12-163 % similar
Dimethyl malonate108-59-861 % similar
Methyl 4-chloroacetoacetate32807-28-661 % similar
Methyl 4-methoxyacetoacetate41051-15-461 % similar
Ethyl 3-oxopentanoate4949-44-461 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.