Isobutyl Acrylate - ≥99%, contains 10-50ppm 4-methoxyphenol as stabilizer , CAS No.106-63-8

CAS: 106-63-8 Cat. No.: I111441 Molecular Weight: 128.17 Beilstein Registry Number: 1749390 EC Number: 203-417-8

GRADE & PURITY ≥99%, contains 10-50ppm 4-methoxyphenol as stabilizer

Synonyms

2-Propenoic acid, 2-methylpropyl ester | DTXSID1021873 | Isobutyl 2-propenoate | Isobutyl Acrylate, (stabilized with MEHQ) | WLN: 1Y1 & 1OV1U1 | 2-Propenoic acid isobutyl ester | Acrylic Acid Isobutyl Ester | NSC20949 | NSC-20949 | CAS-106-63-8 | J-001617

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

2-Propenoic acid, 2-methylpropyl ester | DTXSID1021873 | Isobutyl 2-propenoate | Isobutyl Acrylate, (stabilized with MEHQ) | WLN: 1Y1 & 1OV1U1 | 2-Propenoic acid isobutyl ester | Acrylic Acid Isobutyl Ester | NSC20949 | NSC-20949 | CAS-106-63-8 | J-001617

Specifications & Purity

≥99%, contains 10-50ppm 4-methoxyphenol as stabilizer

Storage

Room temperature

Shipped In

FedEx DG Service

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504751471
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751471
• Canonical Smiles: CC(C)COC(=O)C=C
• IUPAC Name: 2-methylpropyl prop-2-enoate
• InChIKey: CFVWNXQPGQOHRJ-UHFFFAOYSA-N
• INCHI: 1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3
• Isomeric SMILES: CC(C)COC(=O)C=C
• WGK Germany: 2
• RTECS: AT2100000
• UN Number: 2527
• Packing Group: III
• Molecular Weight: 128.17
• Beilstein: 1749390
• Reaxy-Rn: 1749388
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749388&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Acrylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Acrylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acrylic acid esters
• Alternative Parents: Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acrylic acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid 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 acrylic acid esters. These are organic compounds containing and ester acrylic acid (CH2=CHC(=O)OH).
• 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)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Refractive Index: 1.41
• Flash Point(°F): 89.6 °F
• Flash Point(°C): 31 °C
• Boil Point(°C): 132°C
• Molecular Weight: 128.169 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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. Hao Xu, Zhongwei Li, Chengyu Wang, Zhengfu Wang, Rongjian Yu, Yebang Tan.  (2023)  Synthesis and application of amphiphilic copolymer as demulsifier for super heavy oil emulsions.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2023.131498]

2. Meina Yu, Jianjun Xu, Tianyang Wang, Luoning Zhang, Huiyun Wei, Cheng Zou, Yanzi Gao, Huai Yang.  (2022)  Effects of acrylate monomers with different alkyl chain structure on the electro-optical properties and microstructure of polymer dispersed liquid crystals.  JOURNAL OF APPLIED POLYMER SCIENCE,  139  (43): (e53056).  [PMID:] [10.1002/app.53056]

3. Zhenjiong Wang, Hua Zhu, JunNan Huang, Zan Ge, Jing Guo, Xiangyu Feng, Qing Xu.  (2018)  Improvement of the bonding properties of cassava starch-based wood adhesives by using different types of acrylic ester.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:30562521] [10.1016/j.ijbiomac.2018.12.113]

4. Jianquan Tan, Weiqu Liu, Zhengfang Wang.  (2016)  Waterborne UV-curable comb-shaped (meth)acrylate graft copolymer containing long fluorinated and/or polysiloxane side chains.  RSC Advances,  6  (41): (34364-34375).  [PMID:] [10.1039/C6RA02433E]