Methyl 3-methyl-2-furancarboxylate

C₇H₈O₃CAS 6141-57-7140.14 g/mol

Open in Covalent MOL file

Ester

Properties

Molecular formula: C₇H₈O₃
Molar mass: 140.14 g/mol
Exact mass: 140.0473 Da
Melting point: 36.5–37 °C
Boiling point: 72–76 °C (at 8 Torr)
logP: 1.37Crippen estimate
Polar surface area: 39.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6141-57-7

SMILES

COC(=O)c1occc1C

InChIKey

AQQYRDKMXXSIMP-UHFFFAOYSA-N

InChI

InChI=1S/C7H8O3/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

2-Furancarboxylic acid, 3-methyl-, methyl ester
2-Furoic acid, 3-methyl-, methyl ester
Methyl 3-methyl-2-furoate
Methyl 3-methylfuroate
NSC 508754
3-Methylfuran-2-carboxylic acid methyl ester

Reactions

METHYL 3-METHYL-2-FUROATE (2-Furoic acid, 3-methyl-, methyl ester)product

Work with Methyl 3-methyl-2-furancarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 3-aminofuran-2-carboxylate956034-04-162 % similar Methyl 2-methylfuran-3-carboxylate6141-58-854 % similar Methyl 2-furoate611-13-249 % similar Methyl 2-methylbenzoate89-71-449 % similar Methyl 3,4-dimethylbenzoate38404-42-147 % similar 2,5-Dimethyl 2,5-furandicarboxylate4282-32-045 % similar Dimethyl terephthalate120-61-645 % similar Methyl furan-3-carboxylate13129-23-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-furoate1335-40-6 5-Methoxyresorcinol2174-64-3 Methyl 5-methyl-2-furancarboxylate2527-96-0 3,5-Dihydroxybenzyl alcohol29654-55-5 Rel-(3ar,6as)-tetrahydro-1H-cyclopenta[C]furan-1,3(3ah)-dione35878-28-5 2-Acetyl-1,3-cyclopentanedione3859-39-0 3,4-Dihydroxybenzyl alcohol3897-89-0 Ethyl maltol4940-11-8

Elsewhere

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