Methyl 3-oxoheptanoate
Properties
- Molecular formula
- C8H14O3
- Molar mass
- 158.20 g/mol
- Exact mass
- 158.0943 Da
- Boiling point
- 54–55 °C (at 0.1 Torr)
- logP
- 1.31Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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
39815-78-6SMILES
CCCCC(=O)CC(=O)OCInChIKey
CZTKGERSDUGZPQ-UHFFFAOYSA-NInChI
InChI=1S/C8H14O3/c1-3-4-5-7(9)6-8(10)11-2/h3-6H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Heptanoic acid, 3-oxo-, methyl ester
- Methyl pentanoylacetate
- 3-Oxoheptanoic acid methyl ester
Work with Methyl 3-oxoheptanoate
Similar compounds
Methyl 3-oxohexanoate30414-54-179 % similar
Methyl pentanoate624-24-868 % similar
Dimethyl 3-oxohexanedioate5457-44-366 % similar
1,5-Dimethyl 3-oxopentanedioate1830-54-263 % similar
Methyl hexanoate106-70-760 % similar
Methyl 3-oxopentanoate30414-53-060 % similar
Methyl heptanoate106-73-058 % similar
Methyl decanoate110-42-958 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.