Methacrolein - ≥80%(GC), contains 1% HQ as stabilizer , CAS No.78-85-3

CAS: 78-85-3 Cat. No.: M133597 Molecular Weight: 70.09 Beilstein Registry Number: 1(3)2981 EC Number: 201-150-1

GRADE & PURITY ≥80%(GC), contains 1% HQ as stabilizer

Synonyms

EN300-19749 | Methakrylaldehyd | CH2=C(CH3)CHO | Methacrolein-13C | InChI=1/C4H6O/c1-4(2)3-5/h3H,1H2,2H | 2-Methyl-2-propenal | 2-Methylacrolein | MFCD00006974 | 2-Propenal, 2-methyl- | Methacrolein (Stabilized with 1per cent Hydroquinone) | UNII-9HRB2489

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Overview

Methacrolein on oxidation over heteropoly acid catalysts (mainly 12-molybdophosphoric acid) at 300°C yields methacrylic acid. It is the major product of isoprene oxidation.
Methacrolein was used to study the effect of parts per billion levels of limonene oxidation products and the terpene oxidation product, methacrolein on human eye blink frequency. It was also used in determination of rate constants and the products of the reactions between atomic chlorine and acrolein, methacrolein and methyl vinyl ketone.

Specifications

Synonyms

EN300-19749 | Methakrylaldehyd | CH2=C(CH3)CHO | Methacrolein-13C | InChI=1/C4H6O/c1-4(2)3-5/h3H, 1H2, 2H | 2-Methyl-2-propenal | 2-Methylacrolein | MFCD00006974 | 2-Propenal, 2-methyl- | Methacrolein (Stabilized with 1per cent Hydroquinone) | UNII-9HRB2489

Specifications & Purity

≥80%(GC), contains 1% HQ as stabilizer

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥80%(GC)

Names and Identifiers

• Canonical Smiles: CC(=C)C=O
• IUPAC Name: 2-methylprop-2-enal
• InChIKey: STNJBCKSHOAVAJ-UHFFFAOYSA-N
• INCHI: 1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3
• Isomeric SMILES: CC(=C)C=O
• RTECS: OZ2625000
• UN Number: 2396
• Packing Group: II
• Molecular Weight: 70.09
• Beilstein: 1(3)2981
• Reaxy-Rn: 1209258
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209258&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated aldehydes
            • Level7 Enals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated aldehydes
• Direct Parent: Enals
• Alternative Parents: Short-chain aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enal - Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aldehyde - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position.
• External Descriptors: Not available

Data sources

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water; Degree of Solubility in water: 60 g/l 20 °C; Miscible with Ether,Ethanol
• Sensitivity: heat,light and air sensitive
• Refractive Index: 1.41
• Flash Point(°F): 5.0 °F
• Flash Point(°C): -15°C(lit.)
• Boil Point(°C): 68°C
• Melt Point(°C): -81°C(lit.)
• Molecular Weight: 70.090 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 70.0419 Da
• Monoisotopic Mass: 70.0419 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 54.700
• 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

References

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3. Wenda Hu, Yan Wan, Lili Zhu, Xiaojie Cheng, Shaolong Wan, Jingdong Lin, Yong Wang.  (2017)  A Strategy for the Simultaneous Synthesis of Methallyl Alcohol and Diethyl Acetal with Sn-β.  ChemSusChem,  10  (23): (4715-4724).  [PMID:28926196] [10.1002/cssc.201701435]

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9. Shipeng Jiang, Siyu Han, Xinyi Wang, Yueran Ma, Yue Chen, Mingyang Sun, Peiran Meng, Shaokai Du, Yue Sun.  (2025)  Smartphone-based paper LPS sensor: achieving picomolar ultra-sensitive detection.  NEW JOURNAL OF CHEMISTRY,      [PMID:] [10.1039/D5NJ01756D]

10. Chen Li, Hong Zhang, Siyao Gu, Wenlong Lu, Xinyu Chen, Liuliu Zhong, Mingjun Zheng, Hui Wan, Lei Wang, Guofeng Guan.  (2025)  The study of structure-property relationships of heteropolyacids regulated by cesium sources in selective oxidation with methacrolein.  CHEMICAL ENGINEERING RESEARCH & DESIGN,      [PMID:] [10.1016/j.cherd.2025.04.044]

11. Yifei Zhang, Zhenyu Fan, Daming Fan, Mingfu Wang, Yueliang Zhao.  (2025)  The Structure–Activity Relationship of Flavonoids in Inhibiting Aldehyde Emissions from Heated Soybean Oil.  ACS Food Science & Technology,      [PMID:] [10.1021/acsfoodscitech.5c00195]

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