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5405-40-3

5405-40-3 Structure

5405-40-3 Structure
IdentificationMore
[Name]

L-PANTOLACTONE
[CAS]

5405-40-3
[Synonyms]

L-(+)-2-HYDROXY-3,3-DIMETHYL-GAMMA-BUTYROLACTONE
L-PANTOLACTONE
L-(+)-PANTOYL LACTONE
S(+)-2-HYDROXY-3,3-DIMETHYL-GAMMA-BUTYROLACTONE
S(+)-3,3-DIMETHYL-2-HYDROXY-GAMMA-BUTYROLACTONE
(S)-(+)-DIHYDRO-3-HYDROXY-4,4-DIMETHYL-2(3H)-FURANONE
(S)-DIHYDRO-3-HYDROXY-4,4-DIMETHYL-2(3H)-FURANONE
(S)-(+)-PANTOLACTONE
(S)-(+)-alpha-Hydroxy-beta,beta-dimethyl-gamma-butyrolactone
(s)-(+)-α-hydroxy-β,β-dimethyl-γ-butyrolactone
(s)-(+)-β,β-dimethyl-α-hydroxy-γ-butyrolactone
L-Pantolactone, (S)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone, (S)-(+)-β,β-Dimethyl-α-hydroxy-γ-butyrolactone, (S)-(+)-α-Hydroxy-β,β-dimethyl-γ-butyrolactone
L-Pantolactone, (S)-(+)-β,β-Dimethyl-α-hydroxy-γ-butyrolactone
(S)-2,4-Dihydroxy-3,3-dimethylbutyric acid γ-lactone
L-α-Hydroxy-β,β-dimethyl-γ-butyrolactone
[EINECS(EC#)]

626-470-2
[Molecular Formula]

C6H10O3
[MDL Number]

MFCD00216625
[Molecular Weight]

130.14
[MOL File]

5405-40-3.mol
Chemical PropertiesBack Directory
[Melting point ]

90-94 °C
[Boiling point ]

120-122 °C/15 mmHg(lit.)
[density ]

1.1066 (rough estimate)
[vapor pressure ]

8.44Pa at 25℃
[refractive index ]

1.4730 (estimate)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

13.12±0.40(Predicted)
[color ]

White to Off-White
[Optical Rotation]

[α]22/D +50.0°, c = 0.5 in H2O
[Water Solubility ]

Soluble in water, hardly soluble in alcohol.
[BRN ]

4659425
[InChI]

1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m1/s1
[InChIKey]

SERHXTVXHNVDKA-SCSAIBSYSA-N
[SMILES]

CC1(C)COC(=O)[C@H]1O
[LogP]

-0.69 at 21℃ and pH6.3-6.5
[Surface tension]

71.69mN/m at 1g/L and 20℃
[CAS DataBase Reference]

5405-40-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H318
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

41
[Safety Statements ]

26-39
[WGK Germany ]

3
[F ]

3-10
[REACH Registrations]

Inactive
[HS Code ]

2932190090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Hazard InformationBack Directory
[Uses]

(S)?-?(+)?-?Pantolactone is a versatile cyclic ester reactant used in the preparation of tunable ligands carbohydrate-derived diarylphosphinites for asymetric catalysis hydrovinylation of styrene derivatives.
Spectrum DetailBack Directory
[Spectrum Detail]

L-PANTOLACTONE(5405-40-3)MS
L-PANTOLACTONE(5405-40-3)1HNMR
L-PANTOLACTONE(5405-40-3)13CNMR
L-PANTOLACTONE(5405-40-3)IR1
L-PANTOLACTONE(5405-40-3)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

5405-40-3(sigmaaldrich)
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