Ethyl 4-dimethylaminobenzoate - ≥98%(GC) , CAS No.10287-53-3

CAS: 10287-53-3 Cat. No.: E130033 Molecular Weight: 193.24 Beilstein Registry Number: 2210233 EC Number: 233-634-3

GRADE & PURITY ≥98%(GC)

Synonyms

SB-PI 704 | SCHEMBL15425 | W-108864 | D72571 | Ethyl 4-(dimethylamino)benzoate | IDI1_014576 | p-Dimethylaminobenzoic acid ethyl ester | AS-14745 | 4-(N,N-dimethylamino)benzoic acid ethyl ester | ETHYL DIMETHYL PABA [INCI] | CAS-10287-53-3 | InChI=1/C11H1

Storage

Room temperature

Shipped In

Normal

Overview

Product Description

Ethyl 4-(dimethylamino)benzoate (Et-PABA) is a hydrophilic polymer, which can also be used as a derivate of 4-aminobenzoate. It is majorly used as a photo-initiator with a strong estrogenic activity, which finds application as an ultraviolet filter in sunscreens.
Product Application

Ethyl 4-(dimethylamino)benzoate is a photoinitiator in visible light system.
Et-PABA is used as a co-initiator with camphorquinone (CQ) to form a self-adhesive composite for the fabrication of photosensitizers in dental materials.
Can be used as a photoinititator in cell encapsulation applications.

Specifications

Synonyms

SB-PI 704 | SCHEMBL15425 | W-108864 | D72571 | Ethyl 4-(dimethylamino)benzoate | IDI1_014576 | p-Dimethylaminobenzoic acid ethyl ester | AS-14745 | 4-(N, N-dimethylamino)benzoic acid ethyl ester | ETHYL DIMETHYL PABA [INCI] | CAS-10287-53-3 | InChI=1/C11H1

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488182951
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182951
• Canonical Smiles: CCOC(=O)C1=CC=C(C=C1)N(C)C
• IUPAC Name: ethyl 4-(dimethylamino)benzoate
• InChIKey: FZUGPQWGEGAKET-UHFFFAOYSA-N
• INCHI: 1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3
• Isomeric SMILES: CCOC(=O)C1=CC=C(C=C1)N(C)C
• WGK Germany: 3
• Molecular Weight: 193.24
• Beilstein: 2210233
• Reaxy-Rn: 2210233
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210233&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Aminobenzoic acids and derivatives Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: tertiary amino compound - ethyl ester - benzoate 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

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Boil Point(°C): 190-191°C/14mm
• Melt Point(°C): 62-67°C
• Molecular Weight: 193.240 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 193.11 Da
• Monoisotopic Mass: 193.11 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 184.000
• 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

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