Cas no 53562-86-0 (Methyl (S)-(+)-3-hydroxybutyrate)

Methyl (S)-(+)-3-hydroxybutyrate structure
53562-86-0 structure
Product Name:Methyl (S)-(+)-3-hydroxybutyrate
CAS No:53562-86-0
MF:C5H10O3
MW:118.131102085114
MDL:MFCD00064461
CID:56434
PubChem ID:6950307
Update Time:2025-06-30

Methyl (S)-(+)-3-hydroxybutyrate Chemical and Physical Properties

Names and Identifiers

    • (S)-Methyl 3-hydroxybutanoate
    • Intermediate of Dorzolamide
    • (S)-(+)-METHYL 3-HYDROXYBUTYRATE
    • (S)-(+)-3-HYDROXYBUTYRIC ACID METHYL ESTER
    • (S)-3-HYDROXYBUTYRIC ACID METHYL ESTER
    • (S)-(+)-3-HYDROXY-N-BUTYRIC ACID METHYL ESTER
    • METHYL (S)-(+)-3-HYDROXYBUTYRATE
    • METHYL (S)-3-HYDROXYBUTYRATE
    • METHYL L-(S)-3-HYDROXYBUTYRATE
    • Methyl-L-(S)-beta-hydroxybutyrate
    • S-(+)-3-Hydroxybutyric acid methyl ester
    • (S)-Methyl-3-hydroxybutyrate
    • methyl (3S)-3-hydroxybutanoate
    • Methyl (S)-(-)-3-hydroxybutyrate
    • (S)-3-Hydroxybutanoic acid methyl ester
    • Butanoicacid, 3-hydroxy-, methyl ester, (S)-
    • (+)-(3S)-3-Hydroxybutanoic acid methylester
    • (3S)-3-Hydroxybutanoic acid methyl ester
    • Methyl (+)-3-hydroxybutanoate
    • (S)-3-Hydroxybutanoic acidmethyl ester
    • (S)-Methyl3-hydroxybutanoate
    • Butanoic acid, 3-hydroxy-, methyl ester, (3S)-
    • LDLDJEAVRNAEBW-BYPYZUCNSA-N
    • G10281A5AH
    • Methyl 3-hydroxybutyrate, (+)-
    • (s)-methyl 3-hydroxybutyrate
    • AC-25566
    • SCHEMBL55045
    • AKOS015855397
    • MFCD00064461
    • BP-10858
    • (S)-3-hydroxy-butyric acid methyl ester
    • AS-13349
    • Q27278509
    • FEMA NO. 4450, (+)-
    • (S)-3-Hydroxy-n-butyric Acid methyl Ester
    • UNII-G10281A5AH
    • methyl-(s)-3-hydroxybutyrate
    • F15447
    • W-111735
    • HY-W012885
    • EINECS 258-628-8
    • (s)-(+)-methyl-3-hydroxybutanoate
    • Methyl (S)-(+)-3-hydroxybutyrate, 99%
    • NS00088778
    • METHYL 3-HYDROXYBUTYRATE, (S)-
    • 53562-86-0
    • (+)-Methyl (S)-3-hydroxybutyrate, puriss., >=99.0% (sum of enantiomers, GC)
    • CS-W013601
    • Methyl-(S)-(+)-3-hydroxy butryate
    • (+)-(3S)-3-Hydroxybutanoic acid methyl ester
    • AM20090811
    • EN300-142156
    • H0704
    • Butanoic acid, 3-hydroxy-, methyl ester, (S)-
    • DB-009765
    • Methyl(S)-(+)-3-hydroxybutyrate
    • Butanoic acid, 3-hydroxy-, methyl ester, (3S)-; Butanoic acid, 3-hydroxy-, methyl ester, (S)-; (+)-(3S)-3-Hydroxybutanoic acid methyl ester; (3S)-3-Hydroxybutanoic acid methyl ester; (S)-3-Hydroxybutanoic acid methyl ester; (S)-3-Hydroxybutyric acid methy
    • Methyl (S)-(+)-3-hydroxybutyrate
    • MDL： MFCD00064461
    • Inchi： 1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1
    • InChI Key： LDLDJEAVRNAEBW-BYPYZUCNSA-N
    • SMILES： O[C@@H](C)CC(=O)OC
    • BRN： 1720583

Computed Properties

  • Exact Mass: 118.06300
  • Monoisotopic Mass: 118.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 79.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -0.2
  • Topological Polar Surface Area: 46.5

Experimental Properties

  • Color/Form: liquid
  • Density: 1.071?g/mL?at 25?°C(lit.)
  • Melting Point: No data available
  • Boiling Point: 76°C/21mmHg(lit.)
  • Flash Point: Fahrenheit: 163.4 ° f < br / > Celsius: 73 ° C < br / >
  • Refractive Index: n20/D 1.421(lit.)
  • Water Partition Coefficient: Miscible with alcohol. Immiscible with water.
  • PSA: 46.53000
  • LogP: -0.06970
  • Solubility: Not determined
  • Specific Rotation: 21.5 o (c=neat)
  • Optical Activity: [α]20/D +19.8°, neat

Methyl (S)-(+)-3-hydroxybutyrate Security Information

Methyl (S)-(+)-3-hydroxybutyrate Customs Data

  • HS CODE：2918199090
  • Customs Data：

    China Customs Code:

    2918199090

    Overview:

    HS: 2918199090. Other alcohol containing but not other oxy carboxylic acids(Including its anhydride\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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Methyl (S)-(+)-3-hydroxybutyrate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:53562-86-0)(S)-Methyl 3-hydroxybutanoate
Order Number:A7792
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:04
Price ($):337.0
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier Audited Supplier
(CAS:53562-86-0)(S)-3-Hydroxybutyric acid methyl ester
Order Number:JH081;JH282
Stock Status:in Stock
Quantity:25kg
Purity:98.00%
Pricing Information Last Updated:Monday, 8 January 2024 17:37
Price ($): negotiated
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:53562-86-0) S-3-羥基丁酸甲酯
Order Number:LE25473727
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:49
Price ($):discuss personally

Methyl (S)-(+)-3-hydroxybutyrate Spectrogram

GC-MS
GC-MS
1H NMR 300 MHz DMSO
1H NMR
13C NMR
13C NMR

Methyl (S)-(+)-3-hydroxybutyrate Related Literature

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53562-86-0 (Methyl (S)-(+)-3-hydroxybutyrate) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:53562-86-0)(S)-Methyl 3-hydroxybutanoate
A7792
Purity:99%
Quantity:500g
Price ($):337.0
Email
Shanghai Jinhuan Chemical CO., LTD.
(CAS:53562-86-0)(S)-3-Hydroxybutyric acid methyl ester
JH081;JH282
Purity:98.00%/98.00%
Quantity:25kg/25kg
Price ($):Inquiry/Inquiry
Email