ChemicalBook--->CAS DataBase List--->53562-86-0

53562-86-0

53562-86-0 Structure

53562-86-0 Structure
IdentificationMore
[Name]

Methyl (S)-(+)-3-hydroxybutyrate
[CAS]

53562-86-0
[Synonyms]

METHYL L-(S)-3-HYDROXYBUTYRATE
METHYL (S)-(+)-3-HYDROXYBUTYRATE
METHYL (S)-3-HYDROXYBUTYRATE
(S)-(+)-3-HYDROXYBUTYRIC ACID METHYL ESTER
(S)-3-HYDROXYBUTYRIC ACID METHYL ESTER
(S)-(+)-3-HYDROXY-N-BUTYRIC ACID METHYL ESTER
(S)-(+)-METHYL 3-HYDROXYBUTYRATE
Methyl-L-(S)-beta-hydroxybutyrate
(S)-3-Hydroxybutyric
(S)-(+)-3-HYDROXY-N-BUTYRIC ACID METHYL ESTER,98+%
methyl S-3-hydroxybutanoate
Butanoic acid, 3-hydroxy-, methyl ester, (S)-
Methyl (3S)-3-hydroxybutanoate
[EINECS(EC#)]

258-628-8
[Molecular Formula]

C5H10O3
[MDL Number]

MFCD00064461
[Molecular Weight]

118.13
[MOL File]

53562-86-0.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[alpha ]

21.5 º (c=neat)
[Boiling point ]

63 °C10 mm Hg(lit.)
[density ]

1.071 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.422
[Fp ]

161 °F
[storage temp. ]

0-6°C
[form ]

Liquid
[pka]

13.95±0.20(Predicted)
[color ]

Clear colorless
[Odor]

fruity
[Optical Rotation]

[α]20/D +50±2°, c = 1.3% in chloroform stab. with amylenes
[Water Solubility ]

Miscible with alcohol. Immiscible with water.
[BRN ]

1720583
[InChI]

1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1
[InChIKey]

LDLDJEAVRNAEBW-BYPYZUCNSA-N
[SMILES]

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

-0.551 (est)
[CAS DataBase Reference]

53562-86-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanoic acid, 3-hydroxy-, methyl ester, (S)-(53562-86-0)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H227-H315-H318
[Precautionary statements ]

P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P310-P403+P235-P501-P280b-P305+P351+P338-P310
[Risk Statements ]

R38:Irritating to the skin.
R41:Risk of serious damage to eyes.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN3265
[WGK Germany ]

3
[HS Code ]

29181990
[Storage Class]

10 - Combustible liquids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl (S)-(+)-3-hydroxybutyrate(53562-86-0).msds
Hazard InformationBack Directory
[Chemical Properties]

The compound with CAS number 53562-86-0 is a clear and colorless liquid that exhibits incompatibility with oxidizing agents, bases, and acids.
[Uses]

Methyl (S)-(+)-3-hydroxybutyrate serves as an optically active starting material used in organic synthesis. It is also used in the preparation of (-)-methyl elenolate.
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl (S)-(+)-3-hydroxybutyrate(53562-86-0)MS
Methyl (S)-(+)-3-hydroxybutyrate(53562-86-0)1HNMR
Methyl (S)-(+)-3-hydroxybutyrate(53562-86-0)13CNMR
Methyl (S)-(+)-3-hydroxybutyrate(53562-86-0)IR1
Methyl (S)-(+)-3-hydroxybutyrate(53562-86-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl (S)-(+)-3-hydroxybutyrate, 99%(53562-86-0)
[Alfa Aesar]

Methyl (S)-(+)-3-hydroxybutyrate, 98%(53562-86-0)
[Sigma Aldrich]

53562-86-0(sigmaaldrich)
[TCI AMERICA]

Methyl (S)-(+)-3-Hydroxybutyrate,>98.0%(GC)(53562-86-0)
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