Methyl benzoate - Standard for GC, ≥99.5%(GC) , CAS No.93-58-3

CAS: 93-58-3 Cat. No.: M108588 Molecular Weight: 136.15 Beilstein Registry Number: 1072099 EC Number: 202-259-7
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GRADE & PURITY Standard for GC ? GC reference standard — characterized compound for calibrating GC methods. Use to build calibration curves and verify GC quantitation. ≥99.5%(GC)
Synonyms
CHEBI:72775 | Methyl benzoate (natural) | Clorius | CLORIUS- | Benzoic acid-methyl ester | NCGC00091665-01 | STK021498 | methyloxycarbonylbenzene | Benzoato de metilo | 6618K1VJ9T | EINECS 202-259-7 | Methyl-benzenecarboxylate | Methylbenzoate | benzoic a
Storage
Room temperature
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5ml
M108588-5ml
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10ml
M108588-10ml
2
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25ml
M108588-25ml
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$41.90
50ml
M108588-50ml
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$65.90
100ml
M108588-100ml
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500ml
M108588-500ml
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Why this grade

Standard for GC, ≥99.5%(GC) Standard for GC for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships FedEx DG Service 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 24 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
CHEBI:72775 | Methyl benzoate (natural) | Clorius | CLORIUS- | Benzoic acid-methyl ester | NCGC00091665-01 | STK021498 | methyloxycarbonylbenzene | Benzoato de metilo | 6618K1VJ9T | EINECS 202-259-7 | Methyl-benzenecarboxylate | Methylbenzoate | benzoic a
Specifications & Purity
Standard for GC, ≥99.5%(GC)
Storage
Room temperature
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Standard for GC
Purity
≥99.5%(GC)
Names and Identifiers
Canonical SmilesCOC(=O)C1=CC=CC=C1
IUPAC Namemethyl benzoate
InChIKeyQPJVMBTYPHYUOC-UHFFFAOYSA-N
INCHI1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
Isomeric SMILES COC(=O)C1=CC=CC=C1
WGK Germany 1
RTECS DH3850000
Molecular Weight 136.15
Beilstein 1072099
Reaxy-Rn 1072099
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072099&ln=

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoic acid esters
Alternative Parents Benzoyl derivatives  Methyl esters  Monocarboxylic acids and derivatives  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzoate ester - Benzoyl - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors an aromatic compound
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Thrips tabaci (33 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:

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

11 results found

Lot NumberCertificate TypeDateItem
L2011214Certificate of AnalysisMar 20, 2026 M108588
A2620125Certificate of AnalysisJan 28, 2026 M108588
B2628130Certificate of AnalysisJan 28, 2026 M108588
D2615045Certificate of AnalysisJan 28, 2026 M108588
B2210388Certificate of AnalysisAug 07, 2025 M108588
B2210427Certificate of AnalysisAug 07, 2025 M108588
B2210428Certificate of AnalysisAug 07, 2025 M108588
B2210454Certificate of AnalysisAug 07, 2025 M108588
B2210502Certificate of AnalysisAug 07, 2025 M108588
B2210511Certificate of AnalysisAug 07, 2025 M108588
F2527102Certificate of AnalysisJul 07, 2025 M108588

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Chemical and Physical Properties
SensitivityMoisture sensitive.
Refractive Index1.516-1.518
Flash Point(°F)82℃
Flash Point(°C)82℃
Boil Point(°C)198~200°C
Melt Point(°C)-12°C
Molecular Weight136.150 g/mol
XLogP32.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass136.052 Da
Monoisotopic Mass136.052 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count10
Formal Charge0
Complexity114.000
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
Documents & Articles
Citations of This Product
References
1. Yunzi Feng, Ziming Xie, Mingtao Huang, Xing Tong, Sha Hou, Hoeseng Tin, Mouming Zhao.  (2023)  Decoding temperature-driven microbial community changes and flavor regulation mechanism during winter fermentation of soy sauce.  FOOD RESEARCH INTERNATIONAL,      [PMID:38225154] [10.1016/j.foodres.2023.113756]
2. Xiao-chen Ma, Ke Wang, Xiang-kun Li, Gai-ge Liu, Hong-ying Chen, Chen-yu Piao, Shijie You.  (2023)  Elucidating the elevated salinity effect on removal of carbon and nitrogen in coupling aromatic degradation to anaerobic denitrification.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.143999]
3. Ting Li, Xi Zhao, Xueli Cao.  (2023)  Volatile Metabolome and Aroma Differences of Six Cultivars of Prunus mume Blossoms.  Plants-Basel,  12  (2): (308).  [PMID:36679020] [10.3390/plants12020308]
4. Jian Yao, Lun Gui, Qizhang Long.  (2022)  A chlorogenic acid esterase from a metagenomic library with unique substrate specificity and its application in caffeic and ferulic acid production from agricultural byproducts.  BIOCATALYSIS AND BIOTRANSFORMATION,      [PMID:] [10.1080/10242422.2021.1969370]
5. Lijuan Su, Xiaojie Shao, Lin Chai, Hui Ge, Hongliang Wang, Xiaojing Cui, Tiansheng Deng, Xianglin Hou.  (2022)  Efficiently and directly produce triacetylglycerol from oils and fats over mesoporous polymeric solid acid catalysts.  RENEWABLE ENERGY,      [PMID:] [10.1016/j.renene.2022.07.063]
6. Tianzhu Shi, Zhengfeng Xie, Zhu Zhu, Wei Shi, Yucheng Liu, Minyao Liu, Xinliang Mo.  (2021)  Effective removal of metal ions and cationic dyes from aqueous solution using different hydrazine–dopamine modified sodium alginate.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:34914908] [10.1016/j.ijbiomac.2021.12.039]
7. Chong Wang, Yuchen Hou, Jiajia Cheng, Mei-Jin Lin, Xinchen Wang.  (2021)  Biomimetic donor-acceptor motifs in carbon nitrides: Enhancing red-light photocatalytic selective oxidation by rational surface engineering.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2021.120259]
8. Hai-Mei Li, Ting-Ting Xu, Qing-Xia Peng, Yong-Sheng Chen, Hua Zhou, Yu-Yun Lu, Ri-An Yan.  (2021)  Enzymatic acylation of rutin with benzoic acid ester and lipophilic, antiradical, and antiproliferative properties of the acylated derivatives.  JOURNAL OF FOOD SCIENCE,  86  (5): (1714-1725).  [PMID:33844282] [10.1111/1750-3841.15703]
9. Yao Jian, Gui Lun, Yin Shaocheng.  (2021)  A novel esterase from a soil metagenomic library displaying a broad substrate range.  AMB Express,  11  (1): (1-10).  [PMID:33666762] [10.1186/s13568-021-01198-5]
10. Jie Du, Faqiong Zhao, Baizhao Zeng.  (2021)  Preparation of functionalized graphene and ionic liquid co-doped polypyrrole solid phase microextraction coating for the detection of benzoates preservatives.  TALANTA,      [PMID:33773735] [10.1016/j.talanta.2021.122231]
11. Chen Tingting, Feng Xiao, Yin Yuqiao, Xu Yingjie.  (2020)  Investigation of the Effect of Alkyl Chain Length on Molecular Interactions Between Methyl Benzoate with Alcohols: A Study of Physicochemical Properties.  JOURNAL OF SOLUTION CHEMISTRY,  49  (11): (1402-1418).  [PMID:] [10.1007/s10953-020-01029-4]
12. Jinhao Zhao, Zhongyan Wang, Zhongshan Li, Jiayu Shi, Ling Meng, Guorong Wang, Jingli Cheng, Yongjun Du.  (2020)  Development of lady beetle attractants from floral volatiles and other semiochemicals for the biological control of aphids.  JOURNAL OF ASIA-PACIFIC ENTOMOLOGY,      [PMID:] [10.1016/j.aspen.2020.08.005]
13. Xiao Feng, Tingting Chen, Yuqiao Yin, Yingjie Xu.  (2020)  A detail study of the microstructure of methyl benzoate/methanol mixture proved by IR spectra, excess infrared wavenumber, and physicochemical properties.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2020.112521]
14. Peng Zhou, Jing Zhang, Zhaokun Xiong, Yang Liu, Xiaowei Huo, Xin Cheng, Wenshu Li, Feng Cheng, Yongli Zhang.  (2019)  C60 Fullerol promoted Fe(III)/H2O2 Fenton oxidation: Role of photosensitive Fe(III)-Fullerol complex.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2019.118264]
15. Peng Zhou, Jing Zhang, Gucheng Zhang, Wenshu Li, Yang Liu, Xin Cheng, Xiaowei Huo, Yunxin Liu, Yongli Zhang.  (2018)  Degradation of dimethyl phthalate by activating peroxymonosulfate using nanoscale zero valent tungsten: Mechanism and degradation pathway.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2018.11.123]
16. Guofeng Mao, Jiaxin Tian, Ting Li, Hatem Fouad, Hassan Ga'al, Jianchu Mo.  (2018)  Behavioral responses of Anagrus nilaparvatae to common terpenoids, aromatic compounds, and fatty acid derivatives from rice plants.  ENTOMOLOGIA EXPERIMENTALIS ET APPLICATA,  166  (6): (483-490).  [PMID:] [10.1111/eea.12689]
17. Xianli Gao, Junke Zhang, Joe M. Regenstein, Yiyun Yin, Cunshan Zhou.  (2017)  Characterization of taste and aroma compounds in Tianyou, a traditional fermented wheat flour condiment.  FOOD RESEARCH INTERNATIONAL,      [PMID:29579914] [10.1016/j.foodres.2017.12.063]
18. Jinyan Sun, Xinli Tong, Zonghui Liu, Shengyun Liao, Xuli Zhuang, Song Xue.  (2016)  Gold-catalyzed selectivity-switchable oxidation of benzyl alcohol in the presence of molecular oxygen.  CATALYSIS COMMUNICATIONS,      [PMID:] [10.1016/j.catcom.2016.07.018]
19. Youhong Ai, Mian Wu, Lulu Li, Faqiong Zhao, Baizhao Zeng.  (2016)  Highly selective and effective solid phase microextraction of benzoic acid esters using ionic liquid functionalized multiwalled carbon nanotubes-doped polyaniline coating.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:26852620] [10.1016/j.chroma.2016.01.072]
20. Yunzi Feng, Guowan Su, Haifeng Zhao, Yu Cai, Chun Cui, Dongxiao Sun-Waterhouse, Mouming Zhao.  (2014)  Characterisation of aroma profiles of commercial soy sauce by odour activity value and omission test.  FOOD CHEMISTRY,      [PMID:25148982] [10.1016/j.foodchem.2014.06.057]
21. Yunzi Feng, Yu Cai, Guowan Su, Haifeng Zhao, Chenxia Wang, Mouming Zhao.  (2013)  Evaluation of aroma differences between high-salt liquid-state fermentation and low-salt solid-state fermentation soy sauces from China.  FOOD CHEMISTRY,      [PMID:24128458] [10.1016/j.foodchem.2013.07.072]
22. Xin Wang, Yuan Liu, Zhenchao Wang, Xiangmei Zeng, William Shu Ching Ngai, Jie Wang, Heng Zhang, Xiao Xie, Rongfeng Zhu, Xinyuan Fan, Chu Wang, Peng R. Chen.  (2025)  Machine-learning-assisted universal protein activation in living mice.  CELL,      [PMID:40436016] [10.1016/j.cell.2025.05.006]
23. Lijuan Su, Ke Li, Longfei Yan, Tiansheng Deng, Xianglin Hou.  (2025)  Synthesis of triacetylglycerol by acyl exchange reaction of oils and fats with acetic acid over highly active polymeric solid acid catalyst.  RENEWABLE ENERGY,      [PMID:] [10.1016/j.renene.2025.124976]
24. Kaili He, Mouming Zhao, Xing Tong, Yunzi Feng.  (2025)  Reveal the flavor quality changes of soy sauce during shelf life through metabolomics.  FOOD CHEMISTRY,      [PMID:41443118] [10.1016/j.foodchem.2025.147650]
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