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Diethyl malonate - 99%, high purity , CAS No.105-53-3

  • ≥99%
Item Number
D103949
Grouped product items
SKUSizeAvailabilityPrice Qty
D103949-25g
25g
3
$9.90
D103949-100g
100g
3
$11.90
D103949-500g
500g
3
$20.90

Basic Description

SynonymsCCRIS 9480 | DIETHYL MALONATE | Ethyl methanedicarboxylate | EINECS 203-305-9 | Ethyl malonate (VAN) | Diethyl malonate, Vetec(TM) reagent grade, 98% | malonic acid-diethylester | Z104473166 | AMY37124 | Diethyl propanedioate | F1908-0063 | FT-0624843 | M
Specifications & Purity≥99%
Storage TempRoom temperature
Shipped InNormal

AI Insight

Associated Targets(non-human)

Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

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Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

Pubchem Sid504751446
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751446
IUPAC Name diethyl propanedioate
INCHI InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
InChi Key IYXGSMUGOJNHAZ-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)CC(=O)OCC
Isomeric SMILES CCOC(=O)CC(=O)OCC
WGK Germany 1
RTECS OO0700000
PubChem CID 7761
Molecular Weight 160.17
Beilstein 774687
Reaxy-Rn 774687

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.

23 results found

Lot NumberCertificate TypeDateItem
C2512313Certificate of AnalysisNov 08, 2024 D103949
K2420458Certificate of AnalysisNov 08, 2024 D103949
K2420277Certificate of AnalysisNov 08, 2024 D103949
K2420276Certificate of AnalysisNov 08, 2024 D103949
K2420275Certificate of AnalysisNov 08, 2024 D103949
I2223483Certificate of AnalysisJun 12, 2024 D103949
G2405192Certificate of AnalysisMar 25, 2024 D103949
H2413064Certificate of AnalysisOct 24, 2023 D103949
K2301473Certificate of AnalysisOct 24, 2023 D103949
K2301444Certificate of AnalysisOct 24, 2023 D103949
K2301443Certificate of AnalysisOct 24, 2023 D103949
I2114134Certificate of AnalysisJun 13, 2023 D103949
I2114140Certificate of AnalysisJun 13, 2023 D103949
I2114141Certificate of AnalysisJun 13, 2023 D103949
I2223486Certificate of AnalysisSep 13, 2022 D103949
A2309501Certificate of AnalysisSep 13, 2022 D103949
J2323073Certificate of AnalysisSep 13, 2022 D103949
I2223485Certificate of AnalysisSep 13, 2022 D103949
I2223484Certificate of AnalysisSep 13, 2022 D103949
I2028015Certificate of AnalysisJul 19, 2022 D103949
I2028014Certificate of AnalysisJul 19, 2022 D103949
I2027104Certificate of AnalysisJul 19, 2022 D103949
H2224243Certificate of AnalysisAug 19, 2021 D103949

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Chemical and Physical Properties

SolubilityInsoluble in water, soluble in ethanol, ether, trichloropropane, and benzene.
SensitivityMoisture sensitive.
Refractive Index1.4143
Flash Point(°F)194 °F
Flash Point(°C)93℃
Boil Point(°C)198-199°C
Melt Point(°C)-50°C
Molecular Weight160.170 g/mol
XLogP31.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass160.074 Da
Monoisotopic Mass160.074 Da
Topological Polar Surface Area52.600 Ų
Heavy Atom Count11
Formal Charge0
Complexity125.000
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

Safety and Hazards(GHS)

Pictogram(s) GHS07
Signal Warning
Hazard Statements

H319:Causes serious eye irritation

H335:May cause respiratory irritation

Precautionary Statements

P261:Avoid breathing dust/fume/gas/mist/vapors/spray.

P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.

P280:Wear protective gloves/protective clothing/eye protection/face protection.

P405:Store locked up.

P501:Dispose of contents/container to ...

P271:Use only outdoors or in a well-ventilated area.

P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P403+P233:Store in a well-ventilated place. Keep container tightly closed.

P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes.

P337+P317:If eye irritation persists: Get medical help.

P319:Get medical help if you feel unwell.

WGK Germany 1
RTECS OO0700000
Reaxy-Rn 774687
Merck Index 3823

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Citations of This Product(12)

1. Zhengrong Lin, Hongye Li, Jinpeng Zhang, Xiaomei Pei, Zhao Chen, Zhenggang Cui, Binglei Song.  (2024)  Toroidal micelles formed in viscoelastic aqueous solutions of a double-tailed surfactant with two quaternary ammonium head groups.  Soft Matter,  20  (4): (804-812).  [PMID:38168697] [10.1039/D3SM01132A]
2. Linlin Lv, Weiwei Luo, Yixiao Zhou, Tiechun Li, Quanping Diao, Pinyi Ma, Daqian Song.  (2023)  A highly sensitive ratiometric fluorescent probe based on fluorescein coumarin for detecting hydrazine in actual water and biological samples.  LUMINESCENCE,  38  (2): (159-165).  [PMID:36601685] [10.1002/bio.4435]
3. He Jiajian, Cheng Kai, Lin Ruijun, Su Qiuping, Li Yong, Ma Zhiping, Wang Shaoshun, Gu Yuxin, Lin Xiaofeng, Lin Wenjing, Yi Guobin.  (2022)  Preparation and properties of a novel coating based on bismaleimides via Michael addition reaction.  Journal of Coatings Technology and Research,  19  (6): (1731-1741).  [PMID:] [10.1007/s11998-022-00644-8]
4. Huixiang Li, Peifang Yan, Bo-Qing Xu, Z. Conrad Zhang.  (2022)  Oxygen affinity of transition metal cations: A coherent descriptor elucidating catalytic oxygenate transformations.  JOURNAL OF CATALYSIS,  412  (21).  [PMID:] [10.1016/j.jcat.2022.05.015]
5. Kun WANG, Er-Fei DONG, Min FANG, Ting CHEN, Wei-Ju ZHU, Cun LI.  (2022)  Construction of ratio fluorescence sensor based on CdTe quantum dots and benzocoumarin-3-carboxylic acid for Hg2+ detection.  CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,  50  (100070).  [PMID:] [10.1016/j.cjac.2022.100070]
6. Xiaojing Yang, Di-Feng Chen, Lin-Song Li, Xue-Jie Zhao, Mei-Xia Zhao.  (2021)  Mesoporous silica nanoparticles loaded with fluorescent coumarin-5-fluorouracil conjugates as mitochondrial-targeting theranostic probes for tumor cells.  NANOTECHNOLOGY,  32  (45): (455101).  [PMID:34340227] [10.1088/1361-6528/ac19d6]
7. Fanyong Yan, Hao Zhang, Xing Li, Xiaodong Sun, Yingxia Jiang, Yali Cui.  (2021)  A fluorescein-coumarin based ratiometric fluorescent probe for detecting hydrazine and its real applications in cells imaging.  TALANTA,  223  (121779).  [PMID:33298284] [10.1016/j.talanta.2020.121779]
8. Yue Wang, Huan Feng, Haibo Li, Xinyi Yang, Hongmin Jia, Wenjun Kang, Qingtao Meng, Zhiqiang Zhang, Run Zhang.  (2020)  A Copper (II) Ensemble-Based Fluorescence Chemosensor and Its Application in the ‘Naked–Eye’ Detection of Biothiols in Human Urine.  SENSORS,  20  (5): (1331).  [PMID:32121408] [10.3390/s20051331]
9. Xinfeng Cheng, Xiuping Ju, Hongmei Du, Yan Zhang, Jinsheng Zhao, Yu Xie.  (2018)  Synthesis and characterization of novel donor–acceptor type electrochromic polymers containing diketopyrrolopyrrole as an acceptor and propylenedioxythiophene or indacenodithiophene as a donor.  RSC Advances,  (41): (23119-23129).  [PMID:35540135] [10.1039/C8RA03570A]
10. Linlin Yang, Jun Zhao, Xinling Yu, Ruilong Zhang, Guangmei Han, Renyong Liu, Zhengjie Liu, Tingting Zhao, Ming-Yong Han, Zhongping Zhang.  (2018)  Dynamic mapping of spontaneously produced H2S in the entire cell space and in live animals using a rationally designed molecular switch.  ANALYST,  143  (8): (1881-1889).  [PMID:29560968] [10.1039/C7AN01802A]
11. Xueyi Sun, Yu Wang, Xiaofeng Zhang, Shihong Zhang, Zhao Zhang.  (2015)  A new coumarin based chromo-fluorogenic probe for selective recognition of cyanide ions in an aqueous medium.  RSC Advances,  (117): (96905-96910).  [PMID:] [10.1039/C5RA14500G]
12. Binglei Song, Zonghui Xu, Xiaona Yu, Shuyi Chen, Shunan Li, Rongzhen Shi, Zhenggang Cui.  (2015)  Synthesis and Solution Properties of a Double-Tailed Quaternary Ammonium Surfactant with a Protrudent Head Group.  JOURNAL OF SURFACTANTS AND DETERGENTS,  18  (6): (1081-1088).  [PMID:] [10.1007/s11743-015-1738-y]

References

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3. Shigeyuki Yamada,Emi Ishii,Tsutomu Konno,Takashi Ishihara.  (2007-04-28)  Reaction of perfluorocyclopentene with various carbon nucleophiles--heteroaromatic lithium reagents, enolate and phosphonium ylide..  Organic & biomolecular chemistry,  ((9)): (1442-1449).  [PMID:17464414]
4. Renhua Fan,Weizi Wang,Dongming Pu,Jie Wu.  (2007-06-26)  Tandem Knoevenagel-Michael addition of aryl sulfonimines with diethyl malonate for synthesis of arylidene dimalonates..  The Journal of organic chemistry,  72  ((15)): (5905-5907).  [PMID:17585824]
5. Chunying Shu,Ting Cai,Liaosa Xu,Tianming Zuo,Jonathan Reid,Kim Harich,Harry C Dorn,Harry W Gibson.  (2007-11-22)  Manganese(III)-catalyzed free radical reactions on trimetallic nitride endohedral metallofullerenes..  Journal of the American Chemical Society,  129  ((50)): (15710-15717).  [PMID:18027949]
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7. Adel A A Emara,Azza A A Abu-Hussein,Ahmed A Taha,Nelly H Mahmoud.  (2010-08-07)  Spectroscopic, solvent influence and thermal studies of ternary copper(II) complexes of diester and dinitrogen base ligands..  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy,  77  ((3)): (594-604).  [PMID:20688561]
8. Jonell N Smith,Robert J Noll,R Graham Cooks.  (2011-04-20)  Facility monitoring of chemical warfare agent simulants in air using an automated, field-deployable, miniature mass spectrometer..  Rapid communications in mass spectrometry : RCM,  25  ((10)): (1437-1444).  [PMID:21504010]
9. Stephanie Oerum,Peter Krabbe,Magnus Schau-Magnussen,Søren Furbo,Jesper Bendix,Anders Hammershøi.  (2012-11-22)  Highly stereoselective, cobalt(III)-directed Mannich additions in water yielding α-methylamino acid products..  Dalton transactions (Cambridge, England : 2003),  42  ((1)): (292-298).  [PMID:23168834]
10. Shigeo Hayashi, Naomi Ueno, Akio Murase, Junji Takada,.  (2014-02-13)  Design, synthesis and structure-activity relationship studies of novel and diverse cyclooxygenase-2 inhibitors as anti-inflammatory drugs..  Journal of enzyme inhibition and medicinal chemistry,  29  ((6)): ( 846-867 ).  [PMID:24517373]
11. D Timothy Anstine,David A Lightner.  (2014-08-12)  Intramolecular Hydrogen Bonding and Linear Pentapyrrole Conformation..  Monatshefte fur chemie,  145  ((7)): (1117-1135).  [PMID:25110361]
12. Kye Chung Park,Toni M Withers,David Maxwell Suckling.  (2015-05-06)  Identification of olfactory receptor neurons in Uraba lugens (Lepidoptera: Nolidae) and its implications for host range..  Journal of insect physiology,  78  (33-46).  [PMID:25937382]
13. Faqiang Leng,Iann C Gerber,Pierre Lecante,Ahmed Bentaleb,Antonio Muñoz,Beatriz M Illescas,Nazario Martín,Georgian Melinte,Ovidiu Ersen,Hervé Martinez,M Rosa Axet,Philippe Serp.  (2017-05-26)  Hexakis [60]Fullerene Adduct-Mediated Covalent Assembly of Ruthenium Nanoparticles and Their Catalytic Properties..  Chemistry (Weinheim an der Bergstrasse, Germany),  23  ((54)): (13379-13386).  [PMID:28543998]
14. Sau Fan Yip,Hong Yee Cheung,Zhongyuan Zhou,Fuk Yee Kwong.  (2007-07-20)  Room-temperature copper-catalyzed alpha-arylation of malonates..  Organic letters,  ((17)): (3469-3472).  [PMID:17637034]
15. Alessandro Marrone,Andrea Renzetti,Paolo De Maria,Stéphane Gérard,Janos Sapi,Antonella Fontana,Nazzareno Re.  (2009-09-25)  Condensation of beta-diester titanium enolates with carbonyl substrates: a combined DFT and experimental investigation..  Chemistry (Weinheim an der Bergstrasse, Germany),  15  ((43)): (11537-11550).  [PMID:19777518]
16. Zhengrong Lin, Hongye Li, Jinpeng Zhang, Xiaomei Pei, Zhao Chen, Zhenggang Cui, Binglei Song.  (2024)  Toroidal micelles formed in viscoelastic aqueous solutions of a double-tailed surfactant with two quaternary ammonium head groups.  Soft Matter,  20  (4): (804-812).  [PMID:38168697] [10.1039/D3SM01132A]
17. Linlin Lv, Weiwei Luo, Yixiao Zhou, Tiechun Li, Quanping Diao, Pinyi Ma, Daqian Song.  (2023)  A highly sensitive ratiometric fluorescent probe based on fluorescein coumarin for detecting hydrazine in actual water and biological samples.  LUMINESCENCE,  38  (2): (159-165).  [PMID:36601685] [10.1002/bio.4435]
18. He Jiajian, Cheng Kai, Lin Ruijun, Su Qiuping, Li Yong, Ma Zhiping, Wang Shaoshun, Gu Yuxin, Lin Xiaofeng, Lin Wenjing, Yi Guobin.  (2022)  Preparation and properties of a novel coating based on bismaleimides via Michael addition reaction.  Journal of Coatings Technology and Research,  19  (6): (1731-1741).  [PMID:] [10.1007/s11998-022-00644-8]
19. Huixiang Li, Peifang Yan, Bo-Qing Xu, Z. Conrad Zhang.  (2022)  Oxygen affinity of transition metal cations: A coherent descriptor elucidating catalytic oxygenate transformations.  JOURNAL OF CATALYSIS,  412  (21).  [PMID:] [10.1016/j.jcat.2022.05.015]
20. Kun WANG, Er-Fei DONG, Min FANG, Ting CHEN, Wei-Ju ZHU, Cun LI.  (2022)  Construction of ratio fluorescence sensor based on CdTe quantum dots and benzocoumarin-3-carboxylic acid for Hg2+ detection.  CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,  50  (100070).  [PMID:] [10.1016/j.cjac.2022.100070]
21. Xiaojing Yang, Di-Feng Chen, Lin-Song Li, Xue-Jie Zhao, Mei-Xia Zhao.  (2021)  Mesoporous silica nanoparticles loaded with fluorescent coumarin-5-fluorouracil conjugates as mitochondrial-targeting theranostic probes for tumor cells.  NANOTECHNOLOGY,  32  (45): (455101).  [PMID:34340227] [10.1088/1361-6528/ac19d6]
22. Fanyong Yan, Hao Zhang, Xing Li, Xiaodong Sun, Yingxia Jiang, Yali Cui.  (2021)  A fluorescein-coumarin based ratiometric fluorescent probe for detecting hydrazine and its real applications in cells imaging.  TALANTA,  223  (121779).  [PMID:33298284] [10.1016/j.talanta.2020.121779]
23. Yue Wang, Huan Feng, Haibo Li, Xinyi Yang, Hongmin Jia, Wenjun Kang, Qingtao Meng, Zhiqiang Zhang, Run Zhang.  (2020)  A Copper (II) Ensemble-Based Fluorescence Chemosensor and Its Application in the ‘Naked–Eye’ Detection of Biothiols in Human Urine.  SENSORS,  20  (5): (1331).  [PMID:32121408] [10.3390/s20051331]
24. Xinfeng Cheng, Xiuping Ju, Hongmei Du, Yan Zhang, Jinsheng Zhao, Yu Xie.  (2018)  Synthesis and characterization of novel donor–acceptor type electrochromic polymers containing diketopyrrolopyrrole as an acceptor and propylenedioxythiophene or indacenodithiophene as a donor.  RSC Advances,  (41): (23119-23129).  [PMID:35540135] [10.1039/C8RA03570A]
25. Linlin Yang, Jun Zhao, Xinling Yu, Ruilong Zhang, Guangmei Han, Renyong Liu, Zhengjie Liu, Tingting Zhao, Ming-Yong Han, Zhongping Zhang.  (2018)  Dynamic mapping of spontaneously produced H2S in the entire cell space and in live animals using a rationally designed molecular switch.  ANALYST,  143  (8): (1881-1889).  [PMID:29560968] [10.1039/C7AN01802A]
26. Xueyi Sun, Yu Wang, Xiaofeng Zhang, Shihong Zhang, Zhao Zhang.  (2015)  A new coumarin based chromo-fluorogenic probe for selective recognition of cyanide ions in an aqueous medium.  RSC Advances,  (117): (96905-96910).  [PMID:] [10.1039/C5RA14500G]
27. Binglei Song, Zonghui Xu, Xiaona Yu, Shuyi Chen, Shunan Li, Rongzhen Shi, Zhenggang Cui.  (2015)  Synthesis and Solution Properties of a Double-Tailed Quaternary Ammonium Surfactant with a Protrudent Head Group.  JOURNAL OF SURFACTANTS AND DETERGENTS,  18  (6): (1081-1088).  [PMID:] [10.1007/s11743-015-1738-y]

Solution Calculators