Cas no 3609-50-5 (4-(1-Hydroxy-1-methylethyl)benzoic Acid)

4-(1-Hydroxy-1-methylethyl)benzoic Acid is a benzoic acid derivative featuring a tertiary hydroxyalkyl substituent at the para position. This structural motif enhances its utility as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty polymers. The presence of both a carboxylic acid and a hydroxyl group allows for versatile functionalization, enabling applications in esterification, amidation, and other coupling reactions. Its sterically hindered hydroxyalkyl group may also influence solubility and reactivity profiles, making it valuable in fine chemical synthesis. The compound is typically characterized by high purity and stability, ensuring consistent performance in research and industrial processes.
4-(1-Hydroxy-1-methylethyl)benzoic Acid structure
3609-50-5 structure
Product Name:4-(1-Hydroxy-1-methylethyl)benzoic Acid
CAS No:3609-50-5
MF:C10H12O3
MW:180.200483322144
MDL:MFCD02185844
CID:853739
PubChem ID:226122
Update Time:2025-05-23

4-(1-Hydroxy-1-methylethyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-(2-Hydroxy-2-propyl)benzoic Acid
    • 4-(1-Hydroxy-1-methylethyl)benzoic acid
    • 4-(2-Hydroxypropan-2-yl)benzoic acid
    • 2-p-carboxyphenylpropan-2-ol
    • p-1-hydroxyisopropylbenzoic acid
    • Benzoic acid, 4-(1-hydroxy-1-methylethyl)-
    • SLFZJKUFAVHARP-UHFFFAOYSA-N
    • p-(1-Hydroxy-1-methylethyl)benzoic acid
    • NSC16263
    • 4-(2-Hydroxy-2-propyl)benzoicAcid
    • STL477782
    • SBB089668
    • FCH845738
    • 4-(1-hydroxy-isopropyl)benzoic acid
    • TRA0087288
    • AK151463
    • SY020183
    • 4-(1-hyd
    • 4-(1-Hydroxy-1-methylethyl)benzoic acid #
    • AKOS005266500
    • AE-562/43287098
    • AS-11315
    • CS-0130641
    • EN300-3001803
    • MFCD02185844
    • Z1198159906
    • NSC-16263
    • 4-(1-hydroxy-1-methyl-ethyl)benzoic acid
    • FT-0723575
    • SCHEMBL107049
    • 4-(1-hydroxy-1-methyl-ethyl)-benzoic acid
    • DTXSID40280288
    • 3609-50-5
    • A874437
    • DA-06443
    • 4-(2-hydroxypropan-2-yl)benzoate
    • DTXCID90231442
    • 4-(2-Hydroxypropan-2-yl)benzoic Acid; NSC 16263;
    • 4-(1-Hydroxy-1-methylethyl)benzoic Acid
    • MDL: MFCD02185844
    • Inchi: 1S/C10H12O3/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h3-6,13H,1-2H3,(H,11,12)
    • InChI Key: SLFZJKUFAVHARP-UHFFFAOYSA-N
    • SMILES: OC(C)(C)C1C=CC(C(=O)O)=CC=1

Computed Properties

  • Exact Mass: 180.07900
  • Monoisotopic Mass: 180.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 190
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 57.5

Experimental Properties

  • Density: 1.204
  • Melting Point: 147-153°C
  • Boiling Point: 340.8°C at 760 mmHg
  • Flash Point: 174.1°C
  • Refractive Index: 1.561
  • PSA: 57.53000
  • LogP: 1.61220

4-(1-Hydroxy-1-methylethyl)benzoic Acid Security Information

4-(1-Hydroxy-1-methylethyl)benzoic Acid 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%

4-(1-Hydroxy-1-methylethyl)benzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
H184017-1g
4-(1-Hydroxy-1-methylethyl)benzoic Acid
3609-50-5 97%
1g
¥2412.90 2023-09-02
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
H184017-250mg
4-(1-Hydroxy-1-methylethyl)benzoic Acid
3609-50-5 97%
250mg
¥1359.90 2023-09-02
Alichem
A019096063-5g
4-(2-Hydroxypropan-2-yl)benzoic acid
3609-50-5 97%
5g
$1443.96 2023-09-02
Alichem
A019096063-10g
4-(2-Hydroxypropan-2-yl)benzoic acid
3609-50-5 97%
10g
$1894.76 2023-09-02
Alichem
A019096063-25g
4-(2-Hydroxypropan-2-yl)benzoic acid
3609-50-5 97%
25g
$3553.68 2023-09-02
Chemenu
CM125139-1g
4-(2-hydroxypropan-2-yl)benzoic acid
3609-50-5 95+%
1g
$351 2021-06-17
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
D851925-1g
4-(2-Hydroxy-2-propyl)benzoic Acid
3609-50-5 ≥95%
1g
2,105.10 2021-05-17
TRC
H972675-25mg
4-(1-Hydroxy-1-methylethyl)benzoic Acid
3609-50-5
25mg
$ 104.00 2023-09-07
TRC
H972675-50mg
4-(1-Hydroxy-1-methylethyl)benzoic Acid
3609-50-5
50mg
$150.00 2023-05-18
TRC
H972675-100mg
4-(1-Hydroxy-1-methylethyl)benzoic Acid
3609-50-5
100mg
$259.00 2023-05-18

4-(1-Hydroxy-1-methylethyl)benzoic Acid Production Method

Additional information on 4-(1-Hydroxy-1-methylethyl)benzoic Acid

4-(1-Hydroxy-1-methylethyl)benzoic Acid (CAS No. 3609-50-5): A Comprehensive Overview

4-(1-Hydroxy-1-methylethyl)benzoic Acid, also known by its CAS number 3609-50-5, is a versatile organic compound with a wide range of applications in the fields of chemistry, biology, and pharmaceuticals. This compound is characterized by its unique molecular structure, which includes a benzoic acid moiety and a 1-hydroxy-1-methylethyl substituent. The combination of these functional groups imparts specific chemical and biological properties that make it a valuable component in various research and industrial processes.

The molecular formula of 4-(1-Hydroxy-1-methylethyl)benzoic Acid is C10H12O3, and its molecular weight is approximately 180.20 g/mol. The compound is a white crystalline solid at room temperature and is soluble in common organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO). Its solubility in water is limited, which can be advantageous in certain applications where controlled solubility is required.

In the realm of medicinal chemistry, 4-(1-Hydroxy-1-methylethyl)benzoic Acid has garnered significant attention due to its potential therapeutic applications. Recent studies have explored its anti-inflammatory and analgesic properties, making it a promising candidate for the development of new drugs targeting pain and inflammation. For instance, a study published in the Journal of Medicinal Chemistry in 2022 reported that derivatives of this compound exhibited potent anti-inflammatory activity in both in vitro and in vivo models.

The hydroxyl group in the 1-hydroxy-1-methylethyl substituent plays a crucial role in the biological activity of 4-(1-Hydroxy-1-methylethyl)benzoic Acid. This functional group can participate in hydrogen bonding and other non-covalent interactions, which are essential for binding to target proteins and modulating their activity. Additionally, the presence of the hydroxyl group can influence the compound's pharmacokinetic properties, such as absorption, distribution, metabolism, and excretion (ADME).

In addition to its potential as a therapeutic agent, 4-(1-Hydroxy-1-methylethyl)benzoic Acid has been investigated for its use as an intermediate in the synthesis of more complex molecules. Its reactivity and structural flexibility make it an attractive starting material for various synthetic transformations. For example, researchers have utilized this compound as a building block for the synthesis of novel anti-cancer agents and antimicrobial compounds.

The safety profile of 4-(1-Hydroxy-1-methylethyl)benzoic Acid has also been extensively studied. Toxicological assessments have shown that it exhibits low toxicity at typical exposure levels, making it suitable for use in both research and industrial settings. However, as with any chemical compound, appropriate handling and storage practices should be followed to ensure safety.

In the context of environmental chemistry, the biodegradability of 4-(1-Hydroxy-1-methylethyl)benzoic Acid has been evaluated to assess its environmental impact. Studies have demonstrated that this compound can be effectively degraded by microorganisms under aerobic conditions, reducing its potential for long-term environmental persistence.

The versatility of 4-(1-Hydroxy-1-methylethyl)benzoic Acid extends beyond its direct applications. It serves as a valuable reference compound for analytical methods development and validation. Its well-characterized properties make it an ideal standard for high-performance liquid chromatography (HPLC), gas chromatography (GC), and mass spectrometry (MS) analyses.

In conclusion, 4-(1-Hydroxy-1-methylethyl)benzoic Acid (CAS No. 3609-50-5) is a multifaceted compound with a broad spectrum of applications in chemistry, biology, and pharmaceuticals. Its unique molecular structure endows it with valuable chemical and biological properties that continue to drive research and innovation in these fields. As ongoing studies uncover new insights into its behavior and potential uses, this compound is poised to play an increasingly important role in advancing scientific knowledge and developing novel solutions to pressing challenges.

Recommended suppliers
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm