Cyclohexyl Acrylate (stabilized with MEHQ) - ≥98%(GC) , CAS No.3066-71-5

CAS: 3066-71-5 Cat. No.: C154000 Molecular Weight: 154.21 EC Number: 221-319-3

GRADE & PURITY ≥98%(GC)

Synonyms

Acrylic Acid Cyclohexyl Ester (stabilized with MEHQ) | InChI=1/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2,8H,1,3-7H2 | Sartomer SR 220 | Cyclohexyl Acrylate, (stabilized with MEHQ) | EINECS 221-319-3 | NSC18612 | NSC-18612 | NSC 18612 | 25B347Q26U | Acrylic Ac

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Acrylic Acid Cyclohexyl Ester (stabilized with MEHQ) | InChI=1/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2, 8H, 1, 3-7H2 | Sartomer SR 220 | Cyclohexyl Acrylate, (stabilized with MEHQ) | EINECS 221-319-3 | NSC18612 | NSC-18612 | NSC 18612 | 25B347Q26U | Acrylic Ac

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: C=CC(=O)OC1CCCCC1
• IUPAC Name: cyclohexyl prop-2-enoate
• InChIKey: KBLWLMPSVYBVDK-UHFFFAOYSA-N
• INCHI: 1S/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2,8H,1,3-7H2
• Isomeric SMILES: C=CC(=O)OC1CCCCC1
• RTECS: AS7350000
• Molecular Weight: 154.21
• Reaxy-Rn: 1937528
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1937528&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 homomonocyclic 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 homomonocyclic 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

• Sensitivity: light sensitive
• Refractive Index: 1.46
• Flash Point(°F): 68°C(lit.)
• Flash Point(°C): 68°C(lit.)
• Boil Point(°C): 184 °C
• Molecular Weight: 154.210 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 154.099 Da
• Monoisotopic Mass: 154.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 146.000
• 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. Meina Yu, Tianyang Wang, Jianjun Xu, Wei Hu, Yanzi Gao, Cheng Zou, Huai Yang.  (2022)  Steric group-based polymer dispersed liquid crystal composite films with high contrast ratio, low driving voltage and small hysteresis.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2022.120152]