2-Methyl-1,4-phenylene bis(4-(3-(acryloyloxy)propoxy)benzoate) - ≥97% , CAS No.174063-87-7

CAS: 174063-87-7 Cat. No.: M191545 Peso molecular: 588.6 Número EC: 641-355-7

GRADE & PURITY ≥97%

Synonyms

1,4-Bis[4-(3-acryloyloxypropyloxy) benzoyloxy]-2-methylbenzene

Storage

Room temperature

Shipped In

Normal

Descripción general

Application：

1,4-Bis[4-(3-acryloyloxypropyloxy) benzoyloxy]-2-methylbenzene is a liquid-crystalline elastomer (LCE) monomer that has been explored as photonically , chemically   or thermally  fueled LCE actuator (LCEA) precursor for use in:
soft robotics, such as microscopic walkers , and self-healable actuators ;
4d printing ;
amplifier reflectors for organic-inorganic perovskite solar-cells [6] or for secure authentication .
optical sensors for medical applications .

Specifications

Sinónimos

1, 4-Bis[4-(3-acryloyloxypropyloxy) benzoyloxy]-2-methylbenzene

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488199830
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199830
• Sonrisas canónicas: CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OCCCOC(=O)C=C
• IUPAC Name: [3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate
• InChIKey: ISSYGWIDLYOJEN-UHFFFAOYSA-N
• INCHI: 1S/C33H32O10/c1-4-30(34)40-20-6-18-38-26-12-8-24(9-13-26)32(36)42-28-16-17-29(23(3)22-28)43-33(37)25-10-14-27(15-11-25)39-19-7-21-41-31(35)5-2/h4-5,8-17,22H,1-2,6-7,18-21H2,3H3
• Isómeros SMILES: CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OCCCOC(=O)C=C
• Peso molecular: 588.6
• Reaxy-Rn: 10502700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10502700&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: Tetracarboxylic acids and derivatives Phenol esters Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Toluenes Alkyl aryl ethers Acrylic acid esters Enoate esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Depside backbone - Tetracarboxylic acid or derivatives - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Acrylic acid ester - Benzenoid - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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

• Peso molecular: 588.600 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 20
• Exact Mass: 588.2 Da
• Monoisotopic Mass: 588.2 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 917.000
• 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. Huang Zengqi, Li Lin, Wu Tingqing, Xue Tangyue, Sun Wei, Pan Qi, Wang Huadong, Xie Hongfei, Chi Jimei, Han Teng, Hu Xiaotian, Su Meng, Chen Yiwang, Song Yanlin.  (2023)  Wearable perovskite solar cells by aligned liquid crystal elastomers.  Nature Communications,  14  (1): (1-11).  [PMID:36864062] [10.1038/s41467-023-36938-7]

2. Linze Jin, Xu Han, Junxiu Piao, Yuhui Meng, Xiaoran Yang, Lifu Zhang, Zitian Zhang, Chengming Jiang, Sheng Bi.  (2024)  Paper-like foldable shape memory wood actuator with consecutive gesture programming by water and thermal dual stimuli for soft robots.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.158515]

3. Yuzhou Chen, Xiaolan Li, Jiaming Wang, Dong Zhou, Lishuang Yao, Yu Huang, Yongjun Liu.  (2024)  Ultra-low temperature-responsive liquid crystal elastomers with tunable drive temperature range.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.126726]

4. Yi Ding, Yu Bai, Tianci Wang, Zan Gao, Yinong Gao, Xiao Wang, Bingyang Li, Pengfei Wang, Chunai Dai, Xin Wang, Zhen Li.  (2025)  Strong and Tough Liquid Crystal Elastomers Reinforced by Cellulose Nanocrystals for Energy Absorption.  POLYMER COMPOSITES,      [PMID:] [10.1002/pc.70241]

5. Yuhang Wang, Shengbo Zhou, Jianyong Feng.  (2025)  High-Strength and Fast-Response Liquid Crystal Elastomer Fiber and Fabric Actuators.  ACS Applied Materials & Interfaces,      [PMID:40754714] [10.1021/acsami.5c09353]

6. Xiao-Liang Ge, Su Xu, Tian-Tai Zhang, Zhuo-Tong Li, Jia-Qi Feng, Hang Ren, Dong-Dong Han, Yong-Lai Zhang.  (2025)  Self-Adaptive Mechanical Metasurface Enabling Zero-Power-Consumption Thermal Management of Electronic Devices.  ADVANCED MATERIALS,      [PMID:41163317] [10.1002/adma.202509005]

7. Fan Bu, Zhengyan Zhang, Hanbin Xiao, E Cheng, Feng Zhu.  (2025)  A novel artificial muscle system with large reversible deformation, continuously adjustable stiffness and dynamic self-adaptation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.163935]

8. Yi Ding, Xin Wang, Yu Bai, Bingyang Li, Xiao Wang, Yinong Gao, Chunai Dai, Zhen Li, Pengfei Wang.  (2025)  Mesoporous silica nanoparticles doped in liquid crystal elastomers for synergetically enhancing vibration damping and energy absorption properties.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.137334]

9. Yuan Ling-Xin, Liu Chang-Yue, Yang Ji-Ping, Wang Zhi-Jian.  (2025)  Soft Crawling and Flipping Robots Based on Liquid Metal-Liquid Crystal Elastomer Composites.  CHINESE JOURNAL OF POLYMER SCIENCE,  43  (4): (588-596).  [PMID:] [10.1007/s10118-025-3276-z]

10. Yidi Zhuang, Yuqin Wang, Jing Kang, Lin Ma, Xiaohan Wang.  (2026)  Engineering robust yet dissociable phase-separated nanodomains to yield mechanically robust elastomers and elastic fibers for cryogenic applications.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.172607]

11. Qiuyu Yang, Xiuxiu Wang, Yuanxin Tang, Shaopeng Lin, Yachen Gao, Hong Meng, Yifan He, Chensha Li.  (2026)  Four-waveband-modulated liquid crystal elastomer (LCE) actuators for soft robotics based on optical wavelength selective actuation of dye-doped LCE materials.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.172892]