Cas no 25804-49-3 (Tert-Butyl 4-hydroxybenzoate)

Tert-Butyl 4-hydroxybenzoate is a synthetic ester derived from 4-hydroxybenzoic acid, commonly utilized as an intermediate in organic synthesis and pharmaceutical applications. Its tert-butyl group enhances steric hindrance, improving stability and resistance to hydrolysis compared to shorter-chain alkyl parabens. This compound exhibits favorable solubility in organic solvents, facilitating its use in reaction media and formulation processes. Its phenolic hydroxyl group allows for further functionalization, making it valuable in the production of fine chemicals and active pharmaceutical ingredients (APIs). Additionally, it serves as a preservative in select industrial applications due to its antimicrobial properties. The compound is characterized by its high purity and consistent performance in synthetic workflows.
Tert-Butyl 4-hydroxybenzoate structure
Tert-Butyl 4-hydroxybenzoate structure
Product Name:Tert-Butyl 4-hydroxybenzoate
CAS No:25804-49-3
MF:C11H14O3
MW:194.227063655853
MDL:MFCD09953072
CID:287541
PubChem ID:117640
Update Time:2025-06-07

Tert-Butyl 4-hydroxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-hydroxy-, 1,1-dimethylethyl ester
    • tert-Butyl 4-hydroxybenzoate
    • 4-(tert-Butoxycarbonyl)phenol
    • 4-Hydroxybenzoic acid 1,1-dimethylethyl ester
    • 4-Hydroxybenzoic acid tert-butyl ester
    • Benzoicacid, p-hydroxy-, tert-butyl ester (8CI)
    • p-Hydroxybenzoic acid tert-butyl ester
    • tert-Butyl p-hydroxybenzoate
    • Tert-butyl-4-hydroxybenzoate
    • B8SS68TDWJ
    • 4-hydroxy-benzoic acid tert-butyl ester
    • Benzoic acid, 4-hydroxy-, 1,1-dimethylethyl ester
    • DSSTox_CID_24895
    • DSSTox_RID_80566
    • DSSTox_GSID_44895
    • WHWMOMRHHQLBQQ-UHFFFAOYSA-N
    • 1,1-dimethylethyl 4-hydroxybenzoate
    • Tox21_301248
    • AB3413
    • A856712
    • (4-Hydroxyphenyl)-carboxylic acid-tert-butyl ester
    • DTXSID7044895
    • EN300-7404314
    • 25804-49-3
    • EINECS 247-272-9
    • 4-Hydroxybenzoic acid tert butyl ester
    • Q27274512
    • CAS-25804-49-3
    • 2-Methyl-2-propanyl 4-hydroxybenzoate
    • FT-0769943
    • DTXCID5024895
    • UNII-B8SS68TDWJ
    • BENZOIC ACID, P-HYDROXY-, TERT-BUTYL ESTER
    • SY022982
    • AKOS013211449
    • CHEMBL3185248
    • NS00027969
    • MFCD09953072
    • CS-W023012
    • NCGC00256248-01
    • SCHEMBL38810
    • AS-19931
    • DA-07612
    • Tert-Butyl 4-hydroxybenzoate
    • MDL： MFCD09953072
    • Inchi： 1S/C11H14O3/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7,12H,1-3H3
    • InChI Key： WHWMOMRHHQLBQQ-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC(=CC=1)O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 194.09432
  • Monoisotopic Mass: 194.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 197
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 46.5
  • XLogP3: 2.4

Experimental Properties

  • Density: 1.107±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 130-132 oC (ethyl ether ligroine )
  • Boiling Point: 295.6±13.0 oC (760 Torr),
  • Flash Point: 121.5±12.6 oC,
  • Solubility: Very slightly soluble (0.64 g/l) (25 o C),
  • PSA: 46.53

Tert-Butyl 4-hydroxybenzoate Security Information

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Tert-Butyl 4-hydroxybenzoate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:25804-49-3)Tert-Butyl 4-hydroxybenzoate
Order Number:A856712
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:02
Price ($):384.0

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Amadis Chemical Company Limited
(CAS:25804-49-3)Tert-Butyl 4-hydroxybenzoate
A856712
Purity:99%
Quantity:500g
Price ($):384.0
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