Dihydro-4-methyl-2H-pyran-2,6(3H)-dione

C₆H₈O₃CAS 4166-53-4128.13 g/mol

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Properties

Molecular formula: C₆H₈O₃
Molar mass: 128.13 g/mol
Exact mass: 128.0473 Da
Melting point: 46–47 °C
Boiling point: 276–278 °C
logP: 0.49Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

4166-53-4

SMILES

CC1CC(=O)OC(=O)C1

InChIKey

MGICRVTUCPFQQZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H8O3/c1-4-2-5(7)9-6(8)3-4/h4H,2-3H2,1H3

Weigh it out

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

Names and synonyms

6 names

2H-Pyran-2,6(3H)-dione, dihydro-4-methyl-
Glutaric anhydride, 3-methyl-
β-Methylglutaric anhydride
3-Methylglutaric anhydride
β-Methylglutaryl anhydride
4-Methyltetrahydropyran-2,6-dione

Reactions

β-METHYLGLUTARIC ANHYDRIDE (Glutaric anhydride, 3-methyl-)product

Work with Dihydro-4-methyl-2H-pyran-2,6(3H)-dione

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isovaleric anhydride1468-39-964 % similar β-Methyl-δ-valerolactone1121-84-254 % similar Dihydro-4-(2-methylpropyl)-2H-pyran-2,6(3H)-dione185815-59-254 % similar Methylsuccinic anhydride4100-80-550 % similar 3,5,5-Trimethylhexanoyl peroxide3851-87-448 % similar Ethyl 3-methylpentanoate5870-68-848 % similar β-Butyrolactone3068-88-044 % similar 1,2,3,4-Butanetetracarboxylic dianhydride4534-73-044 % similar

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

Same formula

Glycidyl acrylate106-90-1 Ketopantolactone13031-04-4 2,2-Dimethylsuccinic anhydride17347-61-4 2,5-Bis(hydroxymethyl)furan1883-75-6 Adipic anhydride2035-75-8 Sotolon28664-35-9 Ethyl (2E)-4-oxo-2-butenoate2960-66-9 Furaneol3658-77-3

Elsewhere

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