4-(4-Phenylbutoxy)benzoic acid

Product Name: 4-(4-Phenylbutoxy)benzoic acid
CAS No.: 30131-16-9
Chemical Name: 4-(4-Phenylbutoxy)benzoic acid
Synonyms: 4-(4-Phenylbutoxy)be;Pranlukast Impurity 5;P-Phenylbutoxybenzoic acid;4-(Butoxyphenyl)benzoicacid;4-(4-Phenylbutoxy)benzoicAci;4-(4-Phenylbutoxy)benzoic aicd;4-(4-PHENYLBUTOXY)BENZOIC ACID;4-(4-Phenylbutoxy)benzoicAcid>Benzoic acid,4-(4-phenylbutoxy)-;Pranlukast Benzoic Acid Impurity
CBNumber: CB1755378
Molecular Formula: C17H18O3
Formula Weight: 270.32
MOL File: 30131-16-9.mol

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4-(4-Phenylbutoxy)benzoic acid Property

Melting point:: 129.0 to 133.0 °C
Boiling point:: 454.3±28.0 °C(Predicted)
Density: 1.144±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), DMSO (Slightly)
form: Solid
pka: 4.47±0.10(Predicted)
color: White to Off-White
InChI: InChI=1S/C17H18O3/c18-17(19)15-9-11-16(12-10-15)20-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H,18,19)
InChIKey: XWCWFMQMZZPALR-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1
CAS DataBase Reference: 30131-16-9(CAS DataBase Reference)

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Safety

HS Code: 2918.99.4700

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

TCI Chemical

Product number: P1997
Product name: 4-(4-Phenylbutoxy)benzoic Acid
Purity: >98.0%(GC)(T)
Packaging: 5g
Price: $26
Updated: 2025/07/31

TCI Chemical

Product number: P1997
Product name: 4-(4-Phenylbutoxy)benzoic Acid
Purity: >98.0%(GC)(T)
Packaging: 25g
Price: $125
Updated: 2025/07/31

TRC

Product number: P399250
Product name: 4-(4-Phenylbutoxy)benzoic Acid
Packaging: 50mg
Price: $60
Updated: 2021/12/16

TRC

Product number: P399250
Product name: 4-(4-Phenylbutoxy)benzoic Acid
Packaging: 250mg
Price: $75
Updated: 2021/12/16

AK Scientific

Product number: J56824
Product name: p-Phenylbutoxybenzoicacid
Packaging: 100g
Price: $161
Updated: 2021/12/16

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4-(4-Phenylbutoxy)benzoic acid Chemical Properties,Usage,Production

Synthesis

136450-05-0

30131-16-9

(1) Thermal reaction: 47.2 g (content of 95.0%, 0.8 mol) of KOH was added to the reaction system, and the reaction was carried out at 120° C. for 3 hours, and the rest of the operations were the same as that of Example 1; (2) Condensation reaction: according to the method of Example 1, the 4-(phenylbutoxy)benzoate shown in Formula (IV) was used as a raw material, and 101.9 g of 4-(phenylbutoxy)benzonitrile oil was obtained. The purity was 96.2% (GC) and the molar yield was 97.5% (calculated based on 4-chlorobenzonitrile); (3) Alcoholysis reaction: 4-(phenylbutoxy)benzonitrile oil (101.9 g, purity 96.2%, 0.33 mol) obtained above was mixed with 713.3 g of anhydrous methanol, and an alcoholysis reaction was carried out for 6 hr at 60 °C. The rest of the operation was the same as that in Example 5, to obtain 110.5 g of 4-(phenylbutoxy)benzoic acid methyl ester oil, with a purity of 98.8% (GC) and a molar yield of 98.4% (calculated based on 4-(phenylbutoxy)benzonitrile); (4) Hydrolysis reaction: 4-(phenylbutoxy)benzoic acid methyl ester oil (116.3 g, purity of 98.8%, 0.384 mol) obtained as described above was added to 200 ml of water, and solid KOH was used to adjust the aqueous solution to pH 14, and the temperature was raised to 80 °C for hydrolysis reaction for 3 h. After the reaction was completed, it was cooled to room temperature. After the reaction was completed, it was cooled to room temperature and adjusted to pH 2 with concentrated hydrochloric acid, and a large amount of white solid was precipitated. After filtration, the cake was washed with water to neutral pH and dried with hot air to give 79.1 g of 4-(phenylbutoxy)benzoic acid white crystals with a melting point of 130-131 °C, a molar yield of 98.7% (based on the calculation of 4-(phenylbutoxy)benzoic acid nitrile), and a purity of 99.3% (HPLC).

References

[1] Patent: CN103588638, 2016, B. Location in patent: Paragraph 0073-0078
[2] Patent: US5990142, 1999, A
[3] New Journal of Chemistry, 2017, vol. 41, # 11, p. 4672 - 4679
[4] Journal of Medicinal Chemistry, 1988, vol. 31, # 1, p. 84 - 91

4-(4-Phenylbutoxy)benzoic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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4-(4-Phenylbutoxy)benzoic acid Suppliers

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View Lastest Price from 4-(4-Phenylbutoxy)benzoic acid manufacturers

Baoji Guokang Healthchem Co., Ltd.

Product: 4-(4-Phenylbutoxy)benzoic acid 30131-16-9
Price: US $125.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 100kg
Release date: 2021-06-07

Shaanxi Dideu Medichem Co. Ltd

Product: 4-(4-Phenylbutoxy)benzoic acid 30131-16-9
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 20T
Release date: 2024-07-18

Zhuozhou Wenxi import and Export Co., Ltd

Product: 4-(4-Phenylbutoxy)benzoic Acid 30131-16-9
Price: US $15.00-10.00/KG
Min. Order: 1KG
Purity: 99%+ HPLC
Supply Ability: Monthly supply of 1 ton
Release date: 2021-07-08

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30131-16-9

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