2,2-Diethoxyacetophenone - ≥95%(GC) , CAS No.6175-45-7

CAS: 6175-45-7 Cat. No.: D154587 Formula: C₁₂H₁₆O₃ Molecular Weight: 208.26 Beilstein Registry Number: 7(1)361 EC Number: 228-220-4

GRADE & PURITY ≥95%(GC)

Synonyms

Tox21_303796 | GLYOXAL, PHENYL-, DIETHYL ACETAL | STL146618 | CAS-6175-45-7 | A833405 | alpha,alpha-Diethoxyacetophenone | NSC66180 | NSC-66180 | 2,2-DIETHOXY-1-PHENYL-1-ETHANONE | BRN 2100306 | H10672 | UNII-W4BCZ1MAK3 | AKOS005721177 | D1640 | DTXCID103

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

It is an effective photoinitiator for UV-curable acrylate-based coatings, adhesives and inks. used in UV-curable system. Particularly useful for photo curing clear acrylate-based formulations where non-yellowing is important. It is also recommended for pigmented inks where shelf life and color stability are essential.

Specifications

Synonyms

Tox21_303796 | GLYOXAL, PHENYL-, DIETHYL ACETAL | STL146618 | CAS-6175-45-7 | A833405 | alpha,alpha-Diethoxyacetophenone | NSC66180 | NSC-66180 | 2,2-DIETHOXY-1-PHENYL-1-ETHANONE | BRN 2100306 | H10672 | UNII-W4BCZ1MAK3 | AKOS005721177 | D1640 | DTXCID103

Specifications & Purity

≥95%(GC)

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

Pubchem Sid

504753087

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753087

Canonical Smiles

CCOC(C(=O)C1=CC=CC=C1)OCC

IUPAC Name

2,2-diethoxy-1-phenylethanone

InChIKey

PIZHFBODNLEQBL-UHFFFAOYSA-N

INCHI

1S/C12H16O3/c1-3-14-12(15-4-2)11(13)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3

Isomeric SMILES

CCOC(C(=O)C1=CC=CC=C1)OCC

RTECS

MD3284000

Molecular Weight

208.26

Beilstein

7(1)361

Reaxy-Rn

2100306

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2100306&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Acetals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Acetal - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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: Insoluble in water.
• Sensitivity: Air sensitive
• Refractive Index: 1.5
• Flash Point(°F): 127°C(lit.)
• Flash Point(°C): 127°C(lit.)
• Boil Point(°C): 134 °C/10 mmHg
• Molecular Weight: 208.250 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 208.11 Da
• Monoisotopic Mass: 208.11 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 179.000
• 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