2-Ethylhexyl acrylate - ≥99%(GC),contains 10-1100ppm MEHQ as stabilizer , CAS No.103-11-7

CAS: 103-11-7 Cat. No.: E108592 Molecular Weight: 184.28 Beilstein Registry Number: 1765828 EC Number: 203-080-7

GRADE & PURITY ≥99%(GC), contains 10-1100ppm MEHQ as stabilizer

Synonyms

(±)-Acrylic acid 2-ethylhexyl ester | Octyl Acrylate | Acrylic Acid Octyl Ester | Acrylic Acid 2-Ethylhexyl Ester

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

(±)-Acrylic acid 2-ethylhexyl ester | Octyl Acrylate | Acrylic Acid Octyl Ester | Acrylic Acid 2-Ethylhexyl Ester

Specifications & Purity

≥99%(GC), contains 10-1100ppm MEHQ as stabilizer

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 504751415
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751415
• Canonical Smiles: CCCCC(CC)COC(=O)C=C
• IUPAC Name: 2-ethylhexyl prop-2-enoate
• InChIKey: GOXQRTZXKQZDDN-UHFFFAOYSA-N
• INCHI: 1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3
• Isomeric SMILES: CCCCC(CC)COC(=O)C=C
• WGK Germany: 1
• RTECS: AT0855000
• Molecular Weight: 184.28
• Beilstein: 1765828
• Reaxy-Rn: 1765828
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1765828&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: enoate ester

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

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, soluble in most organic solvents.
• Sensitivity: Light sensitive.Air sensitive
• Refractive Index: 1.436
• Flash Point(°F): 174.2 °F
• Flash Point(°C): 79°C
• Boil Point(°C): 215-219°C
• Melt Point(°C): >-90°C
• Molecular Weight: 184.270 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 184.146 Da
• Monoisotopic Mass: 184.146 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 152.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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