2-Methyl-1,4-phenylene bis(4-((6-(acryloyloxy)hexyl)oxy)benzoate) - ≥97% , CAS No.125248-71-7

CAS: 125248-71-7 Cat. No.: M302296 Molecular Weight: 672.78 EC Number: 419-310-6

GRADE & PURITY ≥97%

Synonyms

2-Methyl-1,4-phenylene Bis[4-[[6-(acryloyloxy)hexyl]oxy]benzoate] | 1,4-Bis-[4-(6-acryloyloxyhexyloxy)benzoyloxy]-2-methylbenzene

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Application：

1,4-Bis[4-(6-acryloyloxyhexyloxy)benzoyloxy]-2-methylbenzene (RM82) is a known precursor for liquid crystal elastomer (LCEs) inks that can be direct-write printed into 3D structures capable of reversible changes in shape, i.e., four-dimensional-printed (4DP) structures. LCE actuators (LCEAs) using RM82 showed both thermal, photo and chemical responsiveness, which may enable new generations of soft robotics, implantable medical devices and dynamic functional arquitecture, such as photoswitches. RM82 has also been used to create the mesogenic order in liquid crystalline vitrimers, allowing postpolymerization processing, while also minimizing unwanted creep during actuation. This product can be used in Material Jetting or Vat polymerization 3D printing techniques.

Specifications

Synonyms

2-Methyl-1, 4-phenylene Bis[4-[[6-(acryloyloxy)hexyl]oxy]benzoate] | 1, 4-Bis-[4-(6-acryloyloxyhexyloxy)benzoyloxy]-2-methylbenzene

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488199864
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199864
• Canonical Smiles: CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OCCCCCCOC(=O)C=C
• IUPAC Name: [3-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
• InChIKey: FQCKIWWAEIOPSD-UHFFFAOYSA-N
• INCHI: 1S/C39H44O10/c1-4-36(40)46-26-12-8-6-10-24-44-32-18-14-30(15-19-32)38(42)48-34-22-23-35(29(3)28-34)49-39(43)31-16-20-33(21-17-31)45-25-11-7-9-13-27-47-37(41)5-2/h4-5,14-23,28H,1-2,6-13,24-27H2,3H3
• Isomeric SMILES: CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OCCCCCCOC(=O)C=C
• Molecular Weight: 672.78
• Reaxy-Rn: 12126140
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12126140&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Depsides and depsidones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Depsides and depsidones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Depsides and depsidones
• Alternative Parents: Phenol esters Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Toluenes Alkyl aryl ethers Dicarboxylic acids and derivatives Acrylic acid esters Enoate esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Depside backbone - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Toluene - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Acrylic acid ester - Acrylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
• 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

Chemical and Physical Properties

• Boil Point(°C): 779.2±60.0℃(Predicted)
• Molecular Weight: 672.800 g/mol
• XLogP3: 8.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 26
• Exact Mass: 672.293 Da
• Monoisotopic Mass: 672.293 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 1010.000
• 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. Hong Chen, Xin Yao, Haili Qin, Huai-Ping Cong, Shu-Hong Yu.  (2024)  A Photoactivated Self-Adaptive Liquid Crystal Elastomer Oscillator From Orientation and Polymerization Guided by Nanowire Assembly.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202412728]

2. Juncai Song, Tianfeng Zhou, Xiang Xiao, Mingchao Zhang, Peng Liu, Xianbing Zeng, Ruijue Duan, Yue Li, Lei Li, Baiqian Xu, Guanghao Wu, Yubing Guo.  (2025)  Centimeter-Scale Bulk Liquid Crystal Elastomer Artificial Muscle with Strong Mechanical Properties and Designable Complex Shape-Morphing.  ACS Applied Materials & Interfaces,      [PMID:40372804] [10.1021/acsami.5c05472]