(±)-Pantolactone

C₆H₁₀O₃CAS 79-50-5130.14 g/mol

Open in Covalent MOL file

Alcohol Ester Lactone

Properties

Molecular formula: C₆H₁₀O₃
Molar mass: 130.14 g/mol
Exact mass: 130.0630 Da
Melting point: 91–92 °C
Boiling point: 120 °C (at 11 Torr)
logP: -0.07Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 60 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

79-50-5

SMILES

CC1(C)COC(=O)C1O

InChIKey

SERHXTVXHNVDKA-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3

Weigh it out

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

Names and synonyms

25 names · show all

2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-
2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (±)-
Butyric acid, α,γ-dihydroxy-β,β-dimethyl-, γ-lactone
Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone
DL-Pantolactone
DL-Pantoic acid γ-lactone
Dl-Pantoyl lactone
(RS)-Pantolactone
(±)-Pantoyl lactone
(±)-2-Hydroxy-3,3-dimethyl-γ-butyrolactone
α-Oxy-β,β-dimethyl-γ-butyrolactone
2,4-Dihydroxy-3,3-dimethylbutanoic acid γ-lactone
2,4-Dihydroxy-3,3-dimethylbutyric acid γ-lactone
2-Hydroxy-3,3-dimethylbutan-4-olide
2-Hydroxy-3,3-dimethyl-γ-butyrolactone
3-Hydroxy-4,4-dimethyl-2-oxotetrahydrofuran
3-Hydroxy-4,4-dimethyl-2-tetrahydrofuranone
3-Hydroxydihydro-4,4-dimethyl-2(3H)-furanone
NSC 135788
NSC 5926
α-Hydroxy-β,β-dimethyl-γ-butyrolactone
3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one
3-Hydroxy-4,4-dimethyl-dihydro-furan-2-one
3-Hydroxy-4,4-dimethyloxolan-2-one
(+-)-Pantolactone

Reactions

Asymmetric hydrogenation of ketopantoyl lactone: D-(−)-pantoyl lactone (2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-)product

Work with (±)-Pantolactone

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

D-Pantolactone599-04-2Defined stereoisomer (+)-Pantolactone5405-40-3Defined stereoisomer

Similar compounds

Texanol25265-77-453 % similar 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate6846-50-045 % similar (-)-Diethyl tartrate13811-71-736 % similar Diethyl tartrate87-91-236 % similar (1R,5S)-6,6-Dimethyl-3-oxabicyclo(3.1.0)hexane-2,4-dione67911-21-135 % similar Ethyl lactate687-47-834 % similar 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate759-24-034 % similar Ethyl lactate97-64-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl 4-hydroxycrotonate10080-68-9 Ethyl 2-[(2S)-oxiran-2-yl]acetate112083-63-3 Propionic anhydride123-62-6 3-(2-Propyn-1-yloxy)-1,2-propanediol13580-38-6 2-Hydroxyadipaldehyde141-31-1 Ethyl acetoacetate141-97-9 (±)-3-Methyl-2-oxovaleric acid1460-34-0

Elsewhere

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