3-Phenoxybenzoic acid - 10mM in DMSO , CAS No.3739-38-6

CAS: 3739-38-6 Cat. No.: P423685 Molecular Weight: 214.22 Beilstein Registry Number: 10138 EC Number: 223-121-2 PubChem CID: 19539
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GRADE & PURITY 10mM in DMSO
Synonyms
PHENOXYBENZOIC ACID, 3- | 3-PBAc | BDBM50060998 | F14689 | SR-01000197248-1 | STL262700 | AC-10910 | Cambridge id 5155939 | NCGC00248105-01 | 3-PhOC6H4COOH | CHEBI:72631 | Q26840945 | SCHEMBL128732 | diphenyl ether 3-carboxylic acid | pyrethroid TP | SR-0
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
Size
Status
Price
Qty
1ml
P423685-1ml
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

3-Phenoxybenzoic acid are used to control a wide range of insects in public and commercial buildings, animal facilities, warehouses, agricultural fields, and greenhouses. They are also applied on livestock to control insects. In agriculture, cypermethrin, cyfluthrin, and deltamethrin have been used frequently on cotton. It is generally formulated as complex mixtures of different chemical isomers, solvent oils, and synergists.

Specifications

Synonyms
PHENOXYBENZOIC ACID, 3- | 3-PBAc | BDBM50060998 | F14689 | SR-01000197248-1 | STL262700 | AC-10910 | Cambridge id 5155939 | NCGC00248105-01 | 3-PhOC6H4COOH | CHEBI:72631 | Q26840945 | SCHEMBL128732 | diphenyl ether 3-carboxylic acid | pyrethroid TP | SR-0
Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Pubchem Sid528759278
Canonical SmilesC1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O
IUPAC Name3-phenoxybenzoic acid
InChIKeyNXTDJHZGHOFSQG-UHFFFAOYSA-N
INCHI1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
Isomeric SMILES C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O
RTECS DH6293500
PubChem CID 19539
Molecular Weight 214.22
Beilstein 10138
Reaxy-Rn 2105574

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassDiphenylethers
Intermediate Tree Nodes Not available
Direct ParentDiphenylethers
Alternative Parents Diarylethers  Benzoic acids  Phenoxy compounds  Phenol ethers  Benzoyl derivatives  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Diphenylether - Diaryl ether - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors phenoxybenzoic acid
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
AKR1C3 Tchem Aldo-keto reductase family 1 member C3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Associated Targets(non-human)
E2 Human papillomavirus regulatory protein E2 (38 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ovis aries (854 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Melt Point(°C)147 °C
Molecular Weight214.220 g/mol
XLogP33.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass214.063 Da
Monoisotopic Mass214.063 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count16
Formal Charge0
Complexity233.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Yiwen Cui, Yingying Sun, Hang Yu, Yahui Guo, Weirong Yao, Yunfei Xie, Fangwei Yang.  (2023)  Exploring the binding mechanism and adverse toxic effects of degradation metabolites of pyrethroid insecticides to human serum albumin: Multi-spectroscopy, calorimetric and molecular docking approaches.  FOOD AND CHEMICAL TOXICOLOGY,      [PMID:37479174] [10.1016/j.fct.2023.113951]
2. Yongna Zhao, Dandan Du, Qiannan Li, Wenjie Chen, Qingchen Li, Qingzhu Zhang, Ning Liang.  (2020)  Dummy-surface molecularly imprinted polymers based on magnetic graphene oxide for selective extraction and quantification of pyrethroids pesticides in fruit juices.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2020.105411]
3. Keke Yang, Hou Bo, Dewei Ma, Mingwei Peng, Qinglong Liu, Ziwen Heng, Zhongwei Gu, Xuhan Liu, Siyuan Chen.  (2024)  pH and glucose dual-responsive phenylboronic acid hydrogels for smart insulin delivery.  Soft Matter,      [PMID:39474819] [10.1039/D4SM01004C]
4. Sifang Zhao, Fengjiao Chen, Xianwu Chen, Hongze Liang, Hui Tan, Lingling Zhao.  (2024)  Phenylboronic Acid-Modified pH/Glucose Dual-Responsive Polymeric Micelles for Targeted Anticancer Drug Delivery.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.4c04679]
5. Li Ming, Yongfei Zhou, Ning Li, Xinhua Zhou, Hongyan Zhang, Xiaobo Zou, Can Zhang.  (2025)  Nanozyme-amplified lateral flow nanobody-immunoassay via PEI-mediated coupling strategy for sensitive detection of 3-phenoxybenzoic acid.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2025.107611]
6. Jin Meng, Ning Qiong, Zhang Mengping, Wei Haiyan, Meng Xiao, Chen Wenwen, Pan Hui, Xiu Haidi, Liu Lisheng, Wang Cuijuan.  (2026)  A ready-to-use microsensor based on SERS technique for deltamethrin and its metabolite determination toward point-of-care diagnostics.  MICROCHIMICA ACTA,  193  (3): (131).  [PMID:41642409] [10.1007/s00604-025-07829-z]
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