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 Peso molecular: 672.78 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488199864
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199864
• Sonrisas canónicas: 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
• Isómeros 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
• Peso molecular: 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
    • Clase Depsides and depsidones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 779.2±60.0℃(Predicted)
• Peso molecular: 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

Referencias

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]