Benzeneacetic acid, alpha-oxo-, 1,1'-(oxydi-2,1-ethanediyl) ester

HCID 60004985

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 211510-16-6
Standard SMILES: O=C(OCCOCCOC(=O)C(=O)c1ccccc1)C(=O)c1ccccc1
InChIKey: FIOCEWASVZHBTK-UHFFFAOYSA-N
Molecular formula: C20H18O7
Average molar mass: 370.4 g/mol
Monoisotopic mass: 370.10525292

Names & identifiers

Preferred name: Benzeneacetic acid, alpha-oxo-, 1,1'-(oxydi-2,1-ethanediyl) ester
IUPAC: 2-[2-(2-oxo-2-phenylacetyl)oxyethoxy]ethyl 2-oxo-2-phenylacetate
English name: Benzeneacetic acid, alpha-oxo-, Oxydi-2,1-ethanediyl ester
Molecular formula: C20H18O7
Molecular weight: 370.35

Names & synonyms

211510-16-6Benzeneacetic acid, alpha-oxo-, oxydi-2,1-ethanediyl esterBenzeneacetic acid, alpha-oxo-, 1,1'-(oxydi-2,1-ethanediyl) esterDTXSID80905009RefChem:562938DTXCID701334124Benzeneacetic acid, .alpha.-oxo-, 1,1'-(oxydi-2,1-ethanediyl) esterIrgacure 7542-[2-(2-oxo-2-phenylacetyl)oxyethoxy]ethyl 2-oxo-2-phenylacetateOxybis(ethane-2,1-diyl) bis(2-oxo-2-phenylacetate)2-[(2-Oxo-2-phenylacetoxy)ethoxy]ethyl 2-oxo-2-phenylacetateIRGACURE754

Show more names

HRcure-754lencolo 5022Photoinitiator 754Uv Photoinitiator 754 / Irgacure 754Oxydi-2,1-ethanediyl bis[oxo(phenyl)acetate]Benzeneacetic acid, alpha-oxo-, Oxydi-2,1-ethanediyl esteBenzeneacetic acid, a-oxo-,1,1'-(oxydi-2,1-ethanediyl) ester

SCHEMBL665971Y2P98U89Q7NS00130159H59712Oxydi(ethane-2,1-diyl) bis[oxo(phenyl)acetate]1,1'-(Oxydi-2,1-ethanediyl) bis(alpha-oxobenzeneacetate)Oxy-phenylacetic acid 2-(2-oxo-2-phenyl-acetoxy-ethoxy)-Benzeneacetic acid, .alpha.-oxo-, oxydi-2,1-ethanediyl ester

Database identifiers

CAS: 211510-16-6
PubChem CID: 60004985
DTXSID: DTXSID80905009
UNII: Y2P98U89Q7
EC Number: 689-353-5
Nikkaji: J2.040.700J

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 96 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 12
Heavy atoms: 27
Formal charge: 0
Complexity: 470

Physicochemical properties

Melting point: -22 °C · <-22 °C
Boiling point: 516.1 · 516.1±35.0 °C(Predicted)
Density: 1.265 · 1.265±0.06 g/cm3(Predicted)
refractive index: 1.54 · 1.540-1.545
form: liquid
color: Light yellow
InChI: InChI=1S/C20H18O7/c21-17(15-7-3-1-4-8-15)19(23)26-13-11-25-12-14-27-20(24)18(22)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey: FIOCEWASVZHBTK-UHFFFAOYSA-N
SMILES: O(CCOC(=O)C(=O)C1=CC=CC=C1)CCOC(=O)C(=O)C1=CC=CC=C1
EPA Substance Registry System: -2 · Benzeneacetic acid, .alpha.-oxo-, oxydi-2,1-ethanediyl ester (211510-16-6)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 25% (3 of 12) of reports.

Warning

H317 (75%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 12 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Benzeneacetic-acid, alpha-oxo-, oxydi-2,1-ethanediyl este: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Sens. 1B (75%)

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H317
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzeneacetic acid, .alpha.-oxo-, 1,1'-(oxydi-2,1-ethanediyl) ester: ACTIVE

Applications

UsesPhotoinitiator 754, also known as 2,4,6-Trimethylbenzoyldiphenylphosphine oxide, is a versatile compound widely used in various industrial applications, particularly in photopolymerization processes.