Methyl (3S)-3-hydroxybutanoate | CAS No. 53562-86-0

Methyl (3S)-3-hydroxybutanoate

Basic Information

CAS Number

53562-86-0

Molecular Formula

C5H10O3

Molecular Weight

118.13 g/mol

AD

Basic Physical Properties

Melting Point

No data available

Boiling Point

76°C/21mmHg

Density

1.071 g/mL at 25 °C

Water Solubility

Miscible with alcohol. Immiscible with water.

Refractive Index

n20/D 1.421(lit.)

Specific Rotation

21.5 º (c=neat)

CC(CC(=O)OC)O

InChI

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

InChIKey

LDLDJEAVRNAEBW-BYPYZUCNSA-N

LogP

-0.06970000000000004

Topological Polar Surface Area

46.53 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

79.7

Safety Information

View Safety Information

Hazard Statement

H227 Combustible liquid
Flammable liquids
H315 Causes skin irritation
Skin corrosion/irritation
H318 Causes serious eye damage
Serious eye damage/eye irritation

Synonyms & References

English

  • Butanoic acid, 3-hydroxy-, methyl ester, (S)-
  • NS00088778
  • CS-W013601
  • methyl (3S)-3-hydroxybutanoate
  • F15447
  • AC-25566
  • BP-10858
  • (S)-(+)-3-Hydroxy-N-butyric acid methyl ester
  • EINECS 258-628-8
  • Q27278509
  • FEMA NO. 4450, (+)-
  • SCHEMBL55045
  • UNII-G10281A5AH
  • (s)-(+)-methyl-3-hydroxybutanoate
  • (S)-methyl 3-hydroxybutanoate
  • MFCD00064461
  • HY-W012885
  • AS-13349
  • AKOS015855397
  • Methyl (S)-3-hydroxybutyrate
  • (3S)-3-HYDROXYBUTANOIC ACID METHYL ESTER
  • (S)-(+)-3-Hydroxybutyric Acid Methyl Ester
  • (+)-Methyl (S)-3-hydroxybutyrate, puriss., >=99.0% (sum of enantiomers, GC)
  • Methyl (S)-(-)-3-hydroxybutyrate
  • (S)-3-hydroxybutyric acid methyl ester
  • METHYL 3-HYDROXYBUTYRATE, (S)-
  • Methyl-(S)-(+)-3-hydroxy butryate
  • Methyl (S)-(+)-3-hydroxybutyrate, 99%
  • Methyl 3-hydroxybutyrate, (+)-
  • (S)-3-hydroxy-butyric acid methyl ester
  • (s)-methyl 3-hydroxybutyrate

MDL Number

MFCD00064461

Customs Code

2918199090

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