Isobutyl methacrylate - ≥97% , CAS No.97-86-9

CAS: 97-86-9 Cat. No.: I401365 Molecular Weight: 142.2 Beilstein Registry Number: 1747595 EC Number: 202-613-0

GRADE & PURITY ≥97%

Synonyms

ISOBUTYL METHACRYLATE [INCI] | DTXSID3025461 | EINECS 202-613-0 | NCGC00259117-01 | Isobutyl 2-methylacrylate # | 2-methylpropyl 2-methylprop-2-enoate | MFCD00084435 | AKOS005622614 | Isobutylmethacrylate | NCGC00091087-01 | M0132 | MFCD00008931 | CAS-97-

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyms

ISOBUTYL METHACRYLATE [INCI] | DTXSID3025461 | EINECS 202-613-0 | NCGC00259117-01 | Isobutyl 2-methylacrylate # | 2-methylpropyl 2-methylprop-2-enoate | MFCD00084435 | AKOS005622614 | Isobutylmethacrylate | NCGC00091087-01 | M0132 | MFCD00008931 | CAS-97-

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice, FedEx DG Service

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)COC(=O)C(=C)C
• IUPAC Name: 2-methylpropyl 2-methylprop-2-enoate
• InChIKey: RUMACXVDVNRZJZ-UHFFFAOYSA-N
• INCHI: 1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3
• Isomeric SMILES: CC(C)COC(=O)C(=C)C
• WGK Germany: 1
• RTECS: OZ4900000
• UN Number: 2283
• Packing Group: III
• Molecular Weight: 142.2
• Beilstein: 1747595
• Reaxy-Rn: 1747595
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747595&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Enoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Enoate esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enoate ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double 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

Associated Targets(Human)

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

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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)

Discover Target: Nfe2l2

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.4199
• Flash Point(°F): 107.6 °F
• Flash Point(°C): 49℃
• Boil Point(°C): 155°C
• Melt Point(°C): -37°C
• Molecular Weight: 142.200 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 142.099 Da
• Monoisotopic Mass: 142.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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

References

1. Weixing Xu, Jianfei Zhou, Ya’nan Wang, Bi Shi.  (2016)  Modification of Leather Split by In Situ Polymerization of Acrylates.  International Journal of Polymer Science,      [PMID:] [10.1155/2016/7460572]

2. Wen Jie, Lyu Yanjun, Zhang Lianhong, Ma Yuling, Huang Xia, Zhu Wanyu.  (2024)  β-Cyclodextrin-Grafted Cobalt-Aluminum Bimetallic Oxide Modified Acrylic Ester Resin for Oil/Water Separation.  KOREAN JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1007/s11814-024-00208-z]

3. Huizhu Li, Chengyang Liu, Li Zhang, Jianbo Tan.  (2025)  High-Temperature Photoinitiated RAFT Dispersion Polymerization: A Light-Mediated Approach for Controlled Synthesis of Well-Defined Polymeric Microspheres.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c03661]