Isodecyl acrylate,mixture of isomers - ≥98%, containing ≤ 250ppm MEHQ stabilizer , CAS No.1330-61-6

CAS: 1330-61-6 Cat. No.: I117925 Molecular Weight: 212.33 EC Number: 215-542-5

GRADE & PURITY ≥98%, containing ≤ 250ppm MEHQ stabilizer

Synonyms

Ageflex FA-10 | MIRAMER 130 | AKOS015838906 | Isodecyl acrylate, 98%, contains 70-100 ppm hydroquinone as stabilizer | Isodecyl alcohol, acrylate | Tox21_303085 | FT-0748223 | LVGFPWDANALGOY-UHFFFAOYSA-N | Q27292596 | SCHEMBL35574 | Isodecyl propenoate |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Ageflex FA-10 | MIRAMER 130 | AKOS015838906 | Isodecyl acrylate, 98%, contains 70-100 ppm hydroquinone as stabilizer | Isodecyl alcohol, acrylate | Tox21_303085 | FT-0748223 | LVGFPWDANALGOY-UHFFFAOYSA-N | Q27292596 | SCHEMBL35574 | Isodecyl propenoate |

Specifications & Purity

≥98%, containing ≤ 250ppm MEHQ stabilizer

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)CCCCCCCOC(=O)C=C
• IUPAC Name: 8-methylnonyl prop-2-enoate
• InChIKey: LVGFPWDANALGOY-UHFFFAOYSA-N
• INCHI: 1S/C13H24O2/c1-4-13(14)15-11-9-7-5-6-8-10-12(2)3/h4,12H,1,5-11H2,2-3H3
• Isomeric SMILES: CC(C)CCCCCCCOC(=O)C=C
• WGK Germany: 2
• RTECS: AT2190000
• UN Number: 3082
• Packing Group: III
• Molecular Weight: 212.33
• Reaxy-Rn: 7579456
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7579456&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty alcohol esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty alcohol esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohol esters
• Alternative Parents: Acrylic acid esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol ester - Acrylic acid ester - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - 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 fatty alcohol esters. These are ester derivatives of a fatty alcohol.
• 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

• Solubility: Soluble in Methanol
• Refractive Index: 1.442
• Flash Point(°F): 222.8 °F
• Flash Point(°C): 106 °C
• Boil Point(°C): 121°C
• Molecular Weight: 212.330 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 212.178 Da
• Monoisotopic Mass: 212.178 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 173.000
• 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

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2. Abdul Haleem, Hui-Juan Li, Peng-Yun Li, Chuan-Shan Hu, Xi-Chuan Li, Jia-Yun Wang, Sheng-Qi Chen, Wei-Dong He.  (2020)  Rapid UV-radiation synthesis of polyacrylate cryogel oil-sorbents with adaptable structure and performance.  ENVIRONMENTAL RESEARCH,      [PMID:32470646] [10.1016/j.envres.2020.109488]

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