Hexyl Acrylate (stabilized with HQ) - ≥96%(GC) , CAS No.2499-95-8

CAS: 2499-95-8 Cat. No.: H156906 Molecular Weight: 156.23 EC Number: 219-698-5

GRADE & PURITY ≥96%(GC)

Synonyms

NSC11786 | NSC-11786 | HY-W110166 | Acrylic Acid Hexyl Ester | ALLYLN-HEXYLETHER | WLN: 6OV1U1 | 2-Propenoic acid,n-hexyl ester | CCRIS 7038 | hexylacrylate | DTXCID702194 | FT-0627049 | H12008 | A1257 | Hexyl acrylate, 98%, contains 100 ppm hydroquinone

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

NSC11786 | NSC-11786 | HY-W110166 | Acrylic Acid Hexyl Ester | ALLYLN-HEXYLETHER | WLN: 6OV1U1 | 2-Propenoic acid, n-hexyl ester | CCRIS 7038 | hexylacrylate | DTXCID702194 | FT-0627049 | H12008 | A1257 | Hexyl acrylate, 98%, contains 100 ppm hydroquinone

Specifications & Purity

≥96%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥96%(GC)

Names and Identifiers

• Canonical Smiles: CCCCCCOC(=O)C=C
• IUPAC Name: hexyl prop-2-enoate
• InChIKey: LNMQRPPRQDGUDR-UHFFFAOYSA-N
• INCHI: 1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3
• Isomeric SMILES: CCCCCCOC(=O)C=C
• WGK Germany: 2
• RTECS: AT1450000
• Molecular Weight: 156.23
• Reaxy-Rn: 1757327
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1757327&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

Chemical and Physical Properties

• Refractive Index: 1.43
• Flash Point(°F): 154.4 °F
• Flash Point(°C): 68 °C
• Boil Point(°C): 89 °C/24 mmHg
• Molecular Weight: 156.220 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 156.115 Da
• Monoisotopic Mass: 156.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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. Jianjun Xu, Zuowei Zhang, Longxiang He, Yingjie Shi, Yanzi Gao, Meina Yu, Huai Yang.  (2023)  Liquid crystal/polymer composites for energy-efficient smart windows with a wide working temperature range and low off-axis haze.  COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING,      [PMID:] [10.1016/j.compositesa.2023.107976]

2. Yue Hou, Yazhen Li, Yingqi Li, Da Li, Tailin Guo, Xu Deng, Hongping Zhang, Chaoming Xie, Xiong Lu.  (2023)  Tuning Water-Resistant Networks in Mussel-Inspired Hydrogels for Robust Wet Tissue and Bioelectronic Adhesion.  ACS Nano,      [PMID:36734875] [10.1021/acsnano.2c11053]

3. Jianjun Xu, Meina Yu, Gang Chen, Xiao Wang, Junmei Hu, Cheng Zou, Qian Wang, Jiumei Xiao, Yanzi Gao, Siquan Zhu, Huai Yang.  (2022)  Study on the preparation and performance of an electrically controlled dimming film with wide working temperature range.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2022.120408]

4. 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]

5. Taoyu He, Bo Yang, Li Zhang, Zhiqing Shi, Xinjian Gong, Pengfei Geng, Zhenwei Gao, Yinghan Wang.  (2020)  A study on electro-optical properties of polymer dispersed liquid crystal films doped with barium titanate nanoparticles prepared by nucleophile-initiated thiol-ene click reaction.  LIQUID CRYSTALS,      [PMID:] [10.1080/02678292.2019.1701112]

6. Li Zhang, Yawen Liu, Zhiqing Shi, Taoyu He, Xinjian Gong, Pengfei Geng, Zhenwei Gao, Yinghan Wang.  (2020)  Effects of alkyl chain length of monomer and dye-doped type on the electro-optical properties of polymer-dispersed liquid crystal films prepared by nucleophile-initiated thiol-ene click reaction.  LIQUID CRYSTALS,      [PMID:] [10.1080/02678292.2019.1673909]

7. Yue Han, Wenya Gai, Hui Zhang, Guili Zheng, Zhiguang Li, Yanjun Zhang.  (2024)  A Study on Electro-Optical Properties of Liquid Crystals/Polymer Composites with Directional Morphology.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.4c02428]

8. Tao Yu, Jianjun Xu, Jianjun Chen, Jianxin Liu, Yanzi Gao.  (2025)  Balance working temperature and viewing angle properties in polymer dispersed liquid crystal film via SiO2.  COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING,      [PMID:] [10.1016/j.compositesa.2025.108937]