Basic Description

Synonyms	FT-0633673 \| 4-Carbmethoxybenzaldehyde \| HSDB 5842 \| p-Formylbenzoic acid methyl ester \| p-Methoxycarbonylbenzaldehyde \| 4-methoxycarbonylbenzaldehyde \| SMR001252203 \| CAS-1571-08-0 \| Methyl benzaldehyde-4-carboxylate \| Methyl 4-formylbezoate \| EN300-1545
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	Benzoyl derivatives Benzaldehydes Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - Benzoyl - Benzaldehyde - Aryl-aldehyde - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Pubchem Sid	488182095
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182095
IUPAC Name	methyl 4-formylbenzoate
INCHI	InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3
InChIKey	FEIOASZZURHTHB-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=C(C=C1)C=O
Isomeric SMILES	COC(=O)C1=CC=C(C=C1)C=O
WGK Germany	2
Molecular Weight	164.16
Beilstein	775895
Reaxy-Rn	775895
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775895&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.

14 results found

Lot Number	Certificate Type	Date	Item
K1728100	Certificate of Analysis	Jun 12, 2025	M157838
H2127393	Certificate of Analysis	Jun 09, 2025	M157838
H2127394	Certificate of Analysis	Jun 09, 2025	M157838
H2127395	Certificate of Analysis	Jun 09, 2025	M157838
A2113168	Certificate of Analysis	Nov 14, 2024	M157838
A2113169	Certificate of Analysis	Nov 14, 2024	M157838
A2113166	Certificate of Analysis	Nov 14, 2024	M157838
I2411204	Certificate of Analysis	Jun 12, 2024	M157838
I2411207	Certificate of Analysis	Jun 12, 2024	M157838
H23071061	Certificate of Analysis	Feb 23, 2023	M157838
H23071058	Certificate of Analysis	Feb 23, 2023	M157838
H23071105	Certificate of Analysis	Feb 23, 2023	M157838
H2307907	Certificate of Analysis	Feb 23, 2023	M157838
B2308106	Certificate of Analysis	Jul 22, 2021	M157838

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Chemical and Physical Properties

Solubility	Insoluble in water. Solubility in Methanol almost transparency;
Sensitivity	Air sensitive
Flash Point(°F)	262.4 °F
Flash Point(°C)	128 °C
Boil Point(°C)	265°C
Melt Point(°C)	59-63 °C
Molecular Weight	164.160 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	164.047 Da
Monoisotopic Mass	164.047 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169.000
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

How to Cite Aladdin Scientific Products?

1. Shuhui Chen, Yu Yan, Yixuan Chen, Kaili Wang, Yawen Zhang, Xinlong Wang, Xurui Li, Jian Wen, Yue Yuan. (2023) All-in-one HN@Cu-MOF nanoparticles with enhanced reactive oxygen species generation and GSH depletion for effective tumor treatment. Journal of Materials Chemistry B, 11 (48): (11519-11531).
2. Desen Zhou, Xuan Zhang, Zheng Li, Jun Zhang, Tielin Wang, Shaowen Cao. (2024) Construction of local coordination environment of iron sites over g-C3N4/PCN-222(Fe) composite with high CO2 photoreduction performance. APPLIED CATALYSIS B-ENVIRONMENTAL, 344 (123639).
3. Mingya Wang, Shengling Li, Junli Shi, Yongzheng Liu, Duanlin Cao, Linxiu Zhao. (2023) A simple BODIPY-based fluorescent probe for sequential recognition of Cu2+ and GSH and its application on test strips and bioimaging in living cells. JOURNAL OF MOLECULAR STRUCTURE, 1294 (136393).
4. Donglai Peng, Shaofan Duan, Xiaoquan Feng, Zongkai Liu, Jing Wang, Dongyang Li, Yatao Zhang. (2023) Mixed-matrix membranes containing zero-dimension porphyrin-based complex for propylene/propane separation. SEPARATION AND PURIFICATION TECHNOLOGY, 314 (123656).
5. Shiliang Zhu, Ke Li, Shuai Qin, Jianguo Lin, Ling Qiu. (2023) Cerenkov radiation induced chemo-photodynamic therapy using ROS-responsive agent. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 439 (114641).
6. Shuai Zha, Fang Yang, Zhili Ma, Huiqing Wu, Dexin Zhang, Deyuan Li. (2023) Multifunctional upconversion nanocomposite for multi-purpose cancer theranostics. MATERIALS & DESIGN, 226 (111682).
7. Yu Huang, Qingfang Niu, Le Jian, Wengui Zhao, Yuan Li, Wenjuan Dong, Kai Zhang, Wenting Liang, Cheng Yang. (2023) Synthesis of porphyrinic metal-organic framework/rGO nanocomposite for electrochemical recognition of copper ions in water. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 985 (122597).
8. Daiwu Chen, Ruojun Peng, Xinxin Mo, Yijiao Jin, He Li. (2023) Photoelectrochemical sensing of hydrogen peroxide and inhibition of breast cancer cell growth based on a porphyrin derivative modified TiO2 composite. Surfaces and Interfaces, 36 (102569).
9. Hao Liu, Yajun Fu, Xin Wang, Weiping Luo, Weijun Yang. (2022) Self-coupling reactions of terminal alkynes catalyzed by nanorod-like metalloporphyrin organic frameworks encapsulated with copper nanoparticles: Synergistic catalytic effects of dual copper structures. APPLIED CATALYSIS A-GENERAL, 643 (118788).
10. Mengtong Xia, Yu Yan, Haiyan Pu, Xuening Du, Jingyi Liang, Yaning Sun, Jiani Zheng, Yue Yuan. (2022) Glutathione responsive nitric oxide release for enhanced photodynamic therapy by a porphyrinic MOF nanosystem. CHEMICAL ENGINEERING JOURNAL, 442 (136295).
11. Yu Wang, Xitong Zhou, Wanxin Dong, Qinsong Zhong, Xinxin Mo, He Li. (2022) Light responsive Fe-Tcpp@ICG for hydrogen peroxide detection and inhibition of tumor cell growth. BIOSENSORS & BIOELECTRONICS, 200 (113931).
12. Enqing Liu, Jiangping Zhu, Weijun Yang, Fan Liu, Can Huang, Shuangfeng Yin. (2020) PCN-222(Co) Metal–Organic Framework Nanorods Coated with 2D Metal–Organic Layers for the Catalytic Fixation of CO2 to Cyclic Carbonates. ACS Applied Nano Materials, 3 (4): (3578–3584).
13. Yan-Peng Ni, Wan-Shou Wu, Lin Chen, Xi Zhao, Zi-Hao Qin, Xiu-Li Wang, Yu-Zhong Wang. (2019) How Hydrogen Bond Interactions Affect the Flame Retardancy and Anti-Dripping Performances of PET. MACROMOLECULAR MATERIALS AND ENGINEERING, 305 (1): (1900661).
14. Yang Yu, Yanwei Li, Yanhui Li, Hengguo Wang, Qinghui Zuo, Qian Duan. (2019) A 1D porphyrin-based rigid conjugated polymer as efficient and recyclable visible-light driven photocatalyst. REACTIVE & FUNCTIONAL POLYMERS, 143 (104340).
15. Xiao Liu, Wei Qi, Yuefei Wang, Daiwu Lin, Xuejiao Yang, Rongxin Su, Zhimin He. (2018) Rational Design of Mimic Multienzyme Systems in Hierarchically Porous Biomimetic Metal–Organic Frameworks. ACS Applied Materials & Interfaces, 10 (39): (33407–33415).
16. Xingjun Zhao, Jiaxin Li, Peng Zhang, Chunsheng Xiao, Li Chen. (2025) Acid-Responsive Bacteria-Targeted Zinc-Porphyrin Based Sonosensitizer with Enhancing Antibacterial Efficacy and Biofilm Eradication for Infected Wounds Healing. Advanced Healthcare Materials, (2404643).
17. Yani Wang, Qiqi Wang, Yang He, Li Chen. (2025) Channel-Assisted Hydrogen-Bonded Organic Frameworks for Enhanced Proton Conduction Against Weak Humidity. ACS Applied Polymer Materials, 7 (3): (1513-1521).
18. Zhijie Chen, Ruojun Peng, Yichen Li, He Li, Yi Gao, Yu Wang. (2025) Double stimuli-responsive phenylboronic acid functionalized MOF materials for tumor cell imaging and inhibition. Surfaces and Interfaces, 62 (106224).
19. Junli Xiao, Jianbo Jin, Shanyi Chen, Jianfeng Zhang, Peijian Cao, Li-Juan Mao, Ran Li. (2024) Methyl benzoate-related compounds as potential repellents and fumigants for the control of cigarette beetle, Lasioderma serricorne (F.). JOURNAL OF STORED PRODUCTS RESEARCH, 106 (102276).
20. Hao-Cheng Wang, Xiao Liu, Jian-Gong Ma, Peng Cheng. (2024) Rapid and high-throughput synthesis of diverse MOFs with centrifuge tube grinding strategy. GREEN CHEMISTRY, 26 (12): (7312-7319).
21. Yongling Du, Min Guo, Yan Chen, Xiaohui Mo, Junlei Cao, Fangdi Hu. (2024) Ultrasensitive cortisol electrochemical immunosensor amplifying by Au single-atom nanozymes and HRP enzymes. ANALYTICA CHIMICA ACTA, (342462).
22. Rong Chen, Yuting Zhu, Na Song, Huixue Fang, Yan Ma, Lengfeng Wu, Shengjun Liu, Kui Zhang. (2024) Zn-TCPP(M) enhance the photocatalytic performance of metal–organic framework. POLYHEDRON, 251 (116869).

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SKU	Size	Availability	Price
M157838-5g	5g	5	$11.90
M157838-25g	25g	Available within 1-2 weeks(?) Item is derived from our semi-finished stock and is processed in 1-2 weeks.	$42.90
M157838-100g	100g	≥10	$127.90
M157838-500g	500g	2	$396.90

Methyl Terephthalaldehydate - >98.0%(GC), high purity , CAS No.1571-08-0