1-Methylcyclopentyl Acrylate (stabilized with MEHQ) - ≥98%(GC) , CAS No.178889-49-1

CAS: 178889-49-1 Cat. No.: M404745 Molecular Weight: 154.21

GRADE & PURITY ≥98%(GC)

Synonyms

1-METHYLCYCLOPENTYL PROP-2-ENOATE | ACRYLIC ACID 1-METHYLCYCLOPENTYL ESTER | 2-Propenoic acid, 1-methylcyclopentyl ester | D95271 | MFCD08704215 | AKOS006288076 | DTXSID60571428 | 1-Methylcyclopentylacrylate | 1-methylcyclopentyl acrylate | 1-Methylcyclop

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1-METHYLCYCLOPENTYL PROP-2-ENOATE | ACRYLIC ACID 1-METHYLCYCLOPENTYL ESTER | 2-Propenoic acid, 1-methylcyclopentyl ester | D95271 | MFCD08704215 | AKOS006288076 | DTXSID60571428 | 1-Methylcyclopentylacrylate | 1-methylcyclopentyl acrylate | 1-Methylcyclop

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504767825
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767825
• Canonical Smiles: CC1(CCCC1)OC(=O)C=C
• IUPAC Name: (1-methylcyclopentyl) prop-2-enoate
• InChIKey: QOTUZLQBNYANGA-UHFFFAOYSA-N
• INCHI: 1S/C9H14O2/c1-3-8(10)11-9(2)6-4-5-7-9/h3H,1,4-7H2,2H3
• Isomeric SMILES: CC1(CCCC1)OC(=O)C=C
• Molecular Weight: 154.21
• Reaxy-Rn: 7579019
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7579019&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: Heat Sensitive
• Flash Point(°C): 63 °C
• Molecular Weight: 154.210 g/mol
• XLogP3: 2.200
• 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: 166.000
• 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