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Propyl 4-hydroxybenzoate - analytical standard, high purity , CAS No.94-13-3

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Item Number
P105155
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Price Qty
P105155-250mg
250mg
2
$69.90

Basic Description

Synonyms CAS-94-13-3 | EINECS 202-307-7 | EPA Pesticide Chemical Code 061203 | Nipasol P | Propylparaben [USAN:NF] | 4-Hydroxybenzoic acid propylester | p-Hydroxypropyl benzoate | p-Hydroxybenzoic acid, propyl ester | N-Propylparaben | Betacine P | n-Propyl 4-Hydr
Specifications & Purity analytical standard
Shipped In Normal
Grade analytical standard

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Benzoic acids and derivatives
Intermediate Tree Nodes Benzoic acid esters - p-Hydroxybenzoic acid esters
Direct Parent p-Hydroxybenzoic acid alkyl esters
Alternative Parents Benzoyl derivatives  1-hydroxy-2-unsubstituted benzenoids  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic homomonocyclic compounds
Substituents P-hydroxybenzoic acid alkyl ester - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group.
External Descriptors phenols - benzoate ester - paraben

Associated Targets(Human)

F2 Tclin Thrombin (11687 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PGR Tclin Progesterone receptor (8562 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DRD1 Tclin Dopamine D1 receptor (9720 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC6A2 Tclin Norepinephrine transporter (10102 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC6A4 Tclin Serotonin transporter (12625 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
OPRM1 Tclin Mu opioid receptor (19785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DRD3 Tclin Dopamine D3 receptor (14368 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC18A2 Tclin Synaptic vesicular amine transporter (118 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE3A Tclin Phosphodiesterase 3A (3309 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE4A Tclin Phosphodiesterase 4A (1943 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA3 Tchem Adenosine A3 receptor (15931 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HRH3 Tclin Histamine H3 receptor (10389 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ABCB11 Tchem Bile salt export pump (2311 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
UGT1A6 Tbio UDP-glucuronosyltransferase 1-6 (221 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
UGT1A9 Tbio UDP-glucuronosyltransferase 1-9 (343 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Ralstonia solanacearum (520 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name propyl 4-hydroxybenzoate
INCHI InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
InChIKey QELSKZZBTMNZEB-UHFFFAOYSA-N
Smiles CCCOC(=O)C1=CC=C(C=C1)O
Isomeric SMILES CCCOC(=O)C1=CC=C(C=C1)O
WGK Germany 1
RTECS DH2800000
Molecular Weight 180.20
Beilstein 1103245
Reaxy-Rn 1103245
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1103245&ln=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number Certificate Type Date Item
E2509391 Certificate of Analysis Apr 28, 2025 P105155
I2208123 Certificate of Analysis May 16, 2024 P105155
C2223589 Certificate of Analysis Dec 19, 2023 P105155

Chemical and Physical Properties

Refractive Index 1.505
Flash Point(°C) 180℃
Melt Point(°C) 95-97°C
Molecular Weight 180.200 g/mol
XLogP3 3.000
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 180.079 Da
Monoisotopic Mass 180.079 Da
Topological Polar Surface Area 46.500 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 160.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Citations of This Product

1. Qiuhui Xu, Wenxiang Zhang, Quan Chi, Yuhang Yang, Xi Tan, Jikai Liu, Huaming Xiao, Xian Wang.  (2024)  A novel magnetic porous organic cage adsorbent for high-efficient removal of endocrine disrupting chemicals from environmental water.  CHEMICAL ENGINEERING SCIENCE,  285  (119621). 
2. Zhihong Deng, Lifeng Zhao, Xiuxue Li, Chang-Yun Wang, Yue Zhou, Mengfei Li, Yingfei Li, Xianjun Fu.  (2023)  Folium crataegi boosts skin regeneration for burn injury in rats through multiple ways.  BIOMEDICINE & PHARMACOTHERAPY,  167  (115457). 
3. Jiangping Cao, Lei Shi, Yifei He, Tingting Wang, Baizhao Zeng, Faqiong Zhao.  (2024)  An effervescence-assisted microextraction for parabens in foodstuffs based on deep eutectic solvent composed of methyltrioctyl ammonium chloride and decanoic acid.  FOOD CHEMISTRY,  433  (137348). 
4. Jia Shen, Yating Zhu, Fengmei Zhou, Luyu Wang, Manli Guo, Yujuan Cao.  (2023)  Phosphorus-Doped Porous Carbon Coated Graphite Felt as An Efficient and Reusable Cathode for Electro-Fenton Degradation of Parabens.  ChemElectroChem,  10  (18): (e202300255). 
5. Jiangping Cao, Yifei He, Xiaoshuo Zhang, Lei Shi, Baizhao Zeng, Faqiong Zhao.  (2023)  Development of a tributyl phosphate-based hydrophobic deep eutectic solvent for liquid-liquid microextraction of total parabens in beverages.  JOURNAL OF MOLECULAR LIQUIDS,  387  (122593). 
6. Yuanyuan Fu, Zhentao Li, Changjun Hu, Qiaoyan Li, Zilin Chen.  (2023)  In-situ immobilization of covalent organic frameworks as stationary phase for capillary electrochromatography.  JOURNAL OF CHROMATOGRAPHY A,  1705  (464205). 
7. Qian Liu, Liulin Wei, Xiaomei Chen, Xueyun Gao, Jingchan Zhao.  (2023)  Self-collected 3D nano-adsorbent GR@p(POSS-co-DMAEMA) applied to the dispersive solid-phase microextraction in parabens detection of condiments.  MICROCHEMICAL JOURNAL,  190  (108640). 
8. Yan-Yan Liu, Yi-Xin Zhang, Hua-Mei Wen, Xiao-Long Liu, Xin-Jiong Fan.  (2023)  Cloning and rational modification of a cold-adapted esterase for phthalate esters and parabens degradation.  CHEMOSPHERE,  325  (138393). 
9. Zhentao Li, Zhengzheng Liao, Jinfang Hu, Zilin Chen.  (2023)  In situ growth of imine-based covalent organic framework as stationary phase for high-efficiency electrochromatographic separation.  JOURNAL OF CHROMATOGRAPHY A,  1694  (463905). 
10. Wei Hu, Wei Zhou, Chenlu Wang, Zichun Liu, Zilin Chen.  (2023)  Direct coupling in-tube solid-phase microextraction with mass spectrometry using polymer coated open-tubular column for rapid analysis of antiepileptic drugs in biofluids.  ANALYTICA CHIMICA ACTA,  1240  (340775). 
11. Lizhen Qiao, Yuan Tao, Honglin Qin, Ruiting Niu.  (2023)  Multi-magnetic center ionic liquids for dispersive liquid-liquid microextraction coupled with in-situ decomposition based back-extraction for the enrichment of parabens in beverage samples.  JOURNAL OF CHROMATOGRAPHY A,  1689  (463771). 
12. Yuan Tao, Luyao Jia, Honglin Qin, Ruiting Niu, Lizhen Qiao.  (2022)  A new magnetic ionic liquid based salting-out assisted dispersive liquid–liquid microextraction for the determination of parabens in environmental water samples.  Analytical Methods,  14  (46): (4775-4783). 
13. Jiangping Cao, Lei Shi, Yifei He, Yuwen Liu, Faqiong Zhao.  (2022)  Effective extraction of parabens from toothpaste by vortex-assisted liquid-phase microextraction based on low viscosity deep eutectic solvent.  MICROCHEMICAL JOURNAL,  179  (107590). 
14. Zhimin Gong, Gaobo Wang, Shuai Shao, Mengjie Wang, Kun Lu, Shixiang Gao.  (2022)  Co-degradation of coexisting pollutants methylparaben (mediators) and amlodipine in enzyme-mediator systems: Insight into the mediating mechanism.  JOURNAL OF HAZARDOUS MATERIALS,  423  (127112). 
15. Wei Hu, Wei Zhou, Chenlu Wang, Zichun Liu, Zilin Chen.  (2021)  Rapid Analysis of Biological Samples Using Monolithic Polymer-Based In-Tube Solid-Phase Microextraction with Direct Mass Spectrometry.  ACS Applied Bio Materials,  (8): (6236–6243). 
16. Xun Gao, Kai Xu, Miaomiao Chi, Jiaojiao Li, Lingzhe Suo, Lin Zhu, Kexin Chen, Jingqing Mu.  (2021)  Determination of four parabens in cosmetics by high-performance liquid chromatography with magnetic solid-phase and ionic dispersive liquid–liquid extraction.  REVIEWS IN ANALYTICAL CHEMISTRY,  40  (1): (161-172). 
17. Yuanyuan Fu, Zhentao Li, Qiaoyan Li, Changjun Hu, Yikun Liu, Wenqi Sun, Zilin Chen.  (2021)  In situ room-temperature preparation of a covalent organic framework as stationary phase for high-efficiency capillary electrochromatographic separation.  JOURNAL OF CHROMATOGRAPHY A,  1649  (462239). 
18. Yanmei Ren, Ping Xiang, Qilong Xie, Haixiu Yang, Shuhui Liu.  (2021)  Rapid analysis of forchlorfenuron in fruits using molecular complex-based dispersive liquid–liquid microextraction.  Food Additives and Contaminants Part A-Chemistry Analysis Control Exposure & Risk Assessment,  38  (4): (637-645). 
19. Wan-Jun Long, Hai-Long Wu, Tong Wang, Ming-Yue Dong, Ru-Qin Yu.  (2021)  Interference-free analysis of multi-class preservatives in cosmetic products using alternating trilinear decomposition modeling of liquid chromatography diode array detection data.  MICROCHEMICAL JOURNAL,  162  (105847). 
20. 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,  159  (105411). 
21. Zhentao Li, Zhenkun Mao, Changjun Hu, Qiaoyan Li, Zilin Chen.  (2020)  Fluoro-functionalized stationary phases for electrochromatographic separation of organic fluorides.  JOURNAL OF CHROMATOGRAPHY A,  1625  (461269). 
22. Qianhui Mao, Qi Li, Huimin Li, Shoujun Yuan, Jibiao Zhang.  (2020)  Oxidative paraben removal with chlorine dioxide: Reaction kinetics and mechanism.  SEPARATION AND PURIFICATION TECHNOLOGY,  237  (116327). 
23. Wei Zhou, Wenqi Sun, Yikun Liu, Zhenkun Mao, Zilin Chen.  (2020)  Ionic liquid-copolymerized monolith based porous layer open tubular column for CEC-MS analysis.  TALANTA,  209  (120556). 
24. Qin Zucheng, Jiang Yanxiao, Piao Huilan, Tao Shuo, Sun Ying, Wang Xinghua, Ma Pinyi, Song Daqian.  (2019)  Packed hybrids of gold nanoparticles and halloysite nanotubes for dispersive solid phase extraction of triazine herbicides, and their subsequent determination by HPLC.  MICROCHIMICA ACTA,  186  (8): (1-8). 
25. Ge Dandan, Wang Ying, Jiang Qian, Dai Enrui.  (2019)  A Deep Eutectic Solvent as an Extraction Solvent to Separate and Preconcentrate Parabens in Water Samples Using in situ Liquid-Liquid Microextraction.  JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY,  30  (6): (1203-1210). 
26. Xiao-Li Yin, Hui-Wen Gu, Ali R. Jalalvand, Ya-Juan Liu, Ying Chen, Tian-Qin Peng.  (2018)  Dealing with overlapped and unaligned chromatographic peaks by second-order multivariate calibration for complex sample analysis: Fast and green quantification of eight selected preservatives in facial masks.  JOURNAL OF CHROMATOGRAPHY A,  1573  (18). 
27. Li Shuo, Jia Mengtian, Guo Hongqiao, Hou Xiaohong.  (2018)  Development and application of metal organic framework/chitosan foams based on ultrasound-assisted solid-phase extraction coupling to UPLC-MS/MS for the determination of five parabens in water.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  410  (25): (6619-6632). 
28. Wei Zhou, Chenlu Wang, Xuemei Wang, Zilin Chen.  (2018)  Etched poly(ether ether ketone) jacket stir bar with detachable dumbbell-shaped structure for stir bar sorptive extraction.  JOURNAL OF CHROMATOGRAPHY A,  1553  (43). 
29. Mao Qianhui, Ji Feng, Wang Wei, Wang Qiquan, Hu Zhenhu, Yuan Shoujun.  (2016)  Chlorination of parabens: reaction kinetics and transformation product identification.  ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,  23  (22): (23081-23091). 
30. Xiaoxiao You, Chungying Piao, Ligang Chen.  (2016)  Preparation of a magnetic molecularly imprinted polymer by atom-transfer radical polymerization for the extraction of parabens from fruit juices.  JOURNAL OF SEPARATION SCIENCE,  39  (14): (2831-2838). 
31. Yi Zhang, Yan Zhang, Guan Wang, Wujuan Chen, Pingang He, Qingjiang Wang.  (2016)  Synthesis and characterization of a multimode stationary phase: Congo red derivatized silica in nano-flow HPLC.  ANALYST,  141  (3): (1083-1090). 
32. Bingbing Sun, Li Qi, Minglin Wang.  (2014)  Determination of preservatives in soft drinks by capillary electrophoresis with ionic liquids as the electrolyte additives.  JOURNAL OF SEPARATION SCIENCE,  37  (16): (2248-2252). 
33. Yang Jinling, Li Yongxin, Gong Weilei, Wang Changqin, Liu Bencheng, Sun Chengjun.  (2014)  Simultaneous Determination of Six Parabens in Foods by Matrix Liquid-Phase Dispersion Extraction Combined with High-Performance Liquid Chromatography.  Food Analytical Methods,  (8): (1693-1702). 
34. Zheng Hu, Yuhang Yang, Zhe Li, Qiuying Tao, Yinghong Huang, Xian Wang.  (2025)  Efficient enrichment and sensitive determination of endocrine disruptors in PPCPs by novel magnetic covalent organic framework extraction coupled with HPLC-MS/MS.  TALANTA,  287  (127667). 
35. Liao Zhengzheng, Hu Jinfang, Li Zhentao.  (2024)  Monomer-mediated growth of β-cyclodextrin-based microporous organic network as stationary phase for capillary electrochromatography.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,    (1-8). 

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