Methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
Properties
- Molecular formula
- C9H10O4
- Molar mass
- 182.17 g/mol
- Exact mass
- 182.0579 Da
- Melting point
- 67 °C
- Boiling point
- 150–160 °C (at 10 Torr)
- logP
- 1.04Crippen estimate
- Polar surface area
- 56.5 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 4 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
41264-06-6SMILES
COC(=O)c1c(C)cc(=O)oc1CInChIKey
VLYBFLKIZIACQH-UHFFFAOYSA-NInChI
InChI=1S/C9H10O4/c1-5-4-7(10)13-6(2)8(5)9(11)12-3/h4H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
- Methyl 4,6-dimethyl-2-pyrone-5-carboxylate
- Isodehydroacetic acid methyl ester
- Methyl isodehydroacetate
- 2,4-Dimethyl-6-oxo-6H-pyran-3-carboxylic acid methyl ester
Work with Methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
Similar compounds
Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate3385-34-068 % similar
Methyl 2,4,6-trimethylbenzoate2282-84-054 % similar
Atraric acid4707-47-544 % similar
Methyl 2-bromo-6-methylbenzoate99548-56-842 % similar
Methyl 3,4-dimethylbenzoate38404-42-141 % similar
Methyl 3-methyl-2-furancarboxylate6141-57-740 % similar
Methyl 2-methylfuran-3-carboxylate6141-58-840 % similar
Methyl 2,6-dichlorobenzoate14920-87-740 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.