Acrylic Acid 2-Hydroxy-3-phenoxypropyl Ester （PGEA）(stabilized with MEHQ) - ≥85%(GC) , CAS No.16969-10-1

CAS: 16969-10-1 Cat. No.: H305153 Peso molecular: 222.24 Número EC: 241-045-8

GRADE & PURITY ≥85%(GC)

Synonyms

HHQAGBQXOWLTLL-UHFFFAOYSA-N | 2-Hydroxy-3-phenoxypropyl Acrylate (stabilized with MEHQ) | MFCD00066300 | DTXCID9024851 | NCGC00256048-01 | 2-Hydroxy-3-phenoxypropyl prop-2-enoate | Tox21_301706 | SCHEMBL35254 | 2-Hydroxy-3-phenoxypropyl acrylate, contains

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

HHQAGBQXOWLTLL-UHFFFAOYSA-N | 2-Hydroxy-3-phenoxypropyl Acrylate (stabilized with MEHQ) | MFCD00066300 | DTXCID9024851 | NCGC00256048-01 | 2-Hydroxy-3-phenoxypropyl prop-2-enoate | Tox21_301706 | SCHEMBL35254 | 2-Hydroxy-3-phenoxypropyl acrylate, contains

Especificaciones y pureza

≥85%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥85%(GC)

Nombres e identificadores

• Pubchem Sid: 488194877
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194877
• Sonrisas canónicas: C=CC(=O)OCC(COC1=CC=CC=C1)O
• IUPAC Name: (2-hydroxy-3-phenoxypropyl) prop-2-enoate
• InChIKey: HHQAGBQXOWLTLL-UHFFFAOYSA-N
• INCHI: 1S/C12H14O4/c1-2-12(14)16-9-10(13)8-15-11-6-4-3-5-7-11/h2-7,10,13H,1,8-9H2
• Isómeros SMILES: C=CC(=O)OCC(COC1=CC=CC=C1)O
• Peso molecular: 222.24
• Reaxy-Rn: 8904390
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8904390&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Acrylic acid esters Enoate esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Acrylic acid ester - Monocyclic benzene moiety - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.53
• Punto de inflamación (°C): 89°C(lit.)
• Peso molecular: 222.240 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 222.089 Da
• Monoisotopic Mass: 222.089 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 221.000
• 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

Referencias

1. Yunqing Zhu, Lin Liu, Jianzhong Du.  (2012)  Probing into Homopolymer Self-Assembly: How Does Hydrogen Bonding Influence Morphology?.  MACROMOLECULES,      [PMID:] [10.1021/ma302176a]