Cas no 68758-68-9 (Ethyl 4-Hydroxymandelate)

Ethyl 4-Hydroxymandelate is a versatile organic compound commonly used as an intermediate in pharmaceutical and fine chemical synthesis. Its structure features both hydroxyl and ester functional groups, making it valuable for derivatization and chiral synthesis applications. The compound exhibits high purity and stability under standard storage conditions, ensuring reliable performance in reactions. Its solubility in common organic solvents facilitates ease of handling in laboratory and industrial settings. Ethyl 4-Hydroxymandelate is particularly useful in the preparation of active pharmaceutical ingredients (APIs) and specialty chemicals, where precise molecular control is required. The product is typically supplied with detailed analytical documentation to meet stringent quality standards.
Ethyl 4-Hydroxymandelate structure
Ethyl 4-Hydroxymandelate structure
Product Name:Ethyl 4-Hydroxymandelate
CAS No:68758-68-9
MF:C10H12O4
MW:196.199883460999
MDL:MFCD00020180
CID:90445
PubChem ID:111357
Update Time:2025-06-07

Ethyl 4-Hydroxymandelate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-hydroxy-2-(4-hydroxyphenyl)acetate
    • 4-Hydroxymandelic acid ethyl ester
    • Ethyl 4-Hydroxymandelate
    • Ethyl 4-hydroxy-dl-mandelate
    • Benzeneacetic acid, .alpha.,4-dihydroxy-, ethyl ester
    • Ethyl alpha,4-dihydroxyphenylacetate
    • Ethyl hydroxy(4-hydroxyphenyl)acetate
    • AKOS009159478
    • PS-3695
    • Ethyl hydroxy(4-hydroxyphenyl)acetate #
    • FT-0626094
    • Benzeneacetic acid, alpha,4-dihydroxy-, ethyl ester
    • SCHEMBL5209865
    • MFCD00020180
    • CS-0206788
    • A836240
    • 68758-68-9
    • DTXSID00887494
    • G82782
    • DB-055187
    • MDL: MFCD00020180
    • Inchi: 1S/C10H12O4/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,11-12H,2H2,1H3
    • InChI Key: VLOUFSKXRCPIQR-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C1C=CC(=CC=1)O)O)=O
    • BRN: 3132065

Computed Properties

  • Exact Mass: 196.07400
  • Monoisotopic Mass: 196.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 185
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 66.8?2
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing

Experimental Properties

  • Color/Form: White powder
  • Melting Point: 129-131°C
  • PSA: 66.76000
  • LogP: 0.98870
  • Solubility: Not determined

Ethyl 4-Hydroxymandelate Security Information

  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Safety Term:S26;S36
  • Risk Phrases:R36/37/38
  • TSCA:Yes

Ethyl 4-Hydroxymandelate Customs Data

  • HS CODE:2918290000
  • Customs Data:

    China Customs Code:

    2918290000

    Overview:

    2918290000 Other carboxylic acids and anhydrides containing phenolic groups but not other oxy groups\Acyl halide\Peroxides and peroxyacids and their derivatives.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food

    Summary:

    HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

Ethyl 4-Hydroxymandelate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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$ 50.00 2022-06-05
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eNovation Chemicals LLC
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abcr
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Ethyl 4-hydroxymandelate, 98%; .
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€78.40 2023-05-07
abcr
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Ethyl 4-Hydroxymandelate Production Method

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