CAS 106797-53-9 2-Hydroxy-1-(4-(hydroxyethoxy)phenyl)-2-methyl-1-propanone (HCID 86266)

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Basic information

CAS: 106797-53-9
Standard SMILES: CC(C)(O)C(=O)c1ccc(OCCO)cc1
InChIKey: GJKGAPPUXSSCFI-UHFFFAOYSA-N
Molecular formula: C12H16O4
Average molar mass: 224.25 g/mol
Monoisotopic mass: 224.10485899

Overview

2-Hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone is an aromatic ketone.

Names & identifiers

Preferred name: 2-Hydroxy-1-(4-(hydroxyethoxy)phenyl)-2-methyl-1-propanone
IUPAC: 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one
English name: 2-Hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone
Molecular formula: C12H16O4
Molecular weight: 224.25

Names & synonyms

Irgacure 29592-hydroxy-1-(4-(hydroxyethoxy)phenyl)-2-methyl-1-propanone2-hydroxy-1-[4-(hydroxyethoxy)phenyl]-2-methyl-1-propanoneRefChem:436321106797-53-92-Hydroxy-1-(4-(2-hydroxyethoxy)phenyl)-2-methylpropan-1-one2-Hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-1-propanoneDarocur 2959I2959MFCD00085267

Show more names

darocur2959photoinitiator 2959UV2959HRcure-29592-hydroxy-4'-hydroxyethoxy-2-methylpropiophenone1-Propanone, 2-hydroxy-1-4-(2-hydroxyethoxy)phenyl-2-methyl-

1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-DTXSID6044777Darocur 25952-hydroxy-4-(2-hydroxyethoxy)-2-methylpropiophenoneSCHEMBL364432-hydroxy-4'-(2-hydroxyethoxy)-2-methyl propiophenone2-Hydroxy-1-(4-(2-hydroxyethoxy)phenyl)-2-methyl-1-propanone2-Hydroxy-4 inverted exclamation marka-(2-hydroxyethoxy)-2-methylpropiophenone

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 229

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionLarge Crystals

Physicochemical properties

Melting point: 88 · 88-90 °C(lit.)
Boiling point: 405 · 405.0±25.0 °C(Predicted)
Density: 1.183 · 1.183±0.06 g/cm3(Predicted)
vapor pressure: 0 Pa · 0Pa at 25℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 12.96 · 12.96±0.29(Predicted)
color: White to Light yellow

Safety & regulation

GHS classification

GHS Classification · 3 items

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2139 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 4 items

Chemical: 1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-

1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

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

1-Propanone, 2-hydroxy-1-4-(2-hydroxyethoxy)phenyl-2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAquatic Chronic 3 (100%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

12 [mg/m3]

130 [mg/m3]

810 [mg/m3]

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 2
tsca: TSCA listed
rtecs: UC2976000
hs_code: 29145090

Chemistry & industry

Uses & manufacturing

U.S. Production2022: 2,645 lb

Industry UsesFiller

General Manufacturing Information · 2 items

Plastics Material and Resin Manufacturing

1-Propanone, 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-: ACTIVE

Applications · 3 items

Description2-Hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone(Photoinitiator 2959) has been tested for use in UV curing formulations on wood, metal, plastic and paper surfaces.It has lower volatility and odor compared to Irgacure 1173. Importantly, the reactive hydroxyl groups of it are easily grafted onto the polymer molecules, making it more convenient to process.

Uses2-Hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone is a photoinitiator allowed by the FDA certification system; it can be used in water-based photocuring systems, with high melting point, and can also be used in UV-curable powder coatings; it is a high-efficiency non-yellowing UV photoinitiator. UV polymerization of saturated prepolymerized systems.

Uses2-Hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone is used in the preparation of UV-VIS curable PEG hydrogels for biomedical applications with multi-functionality.