Dipentaerythritol hexaacrylate CAS#: 29570-58-9; ChemWhat Code: 263436

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameDipentaerythritol hexaacrylate
IUPAC Name[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
Molecular StructureDipentaerythritol-hexaacrylate-CAS-29570-58-9
CAS Registry Number 29570-58-9
SynonymsDipentaerythritol hexaacrylate
29570-58-9
8CJ839PE7X
EINECS 249-698-0
UNII-8CJ839PE7X
DTXSID60865495
DTXCID20813896
249-698-0
[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
2-Propenoic acid,1,1′-[2-[[3-[(1-oxo-2-propen-1-yl)oxy]-2,2-bis[[(1-oxo-2-propen-1-yl)oxy]methyl]propoxy]methyl]-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl]ester
2-Propenoic acid, 2-[[3-[(1-oxo-2-propenyl)oxy]-2,2-bis[[(1-oxo-2-propenyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester
2-Propenoic acid, 2-((3-((1-oxo-2-propenyl)oxy)-2,2-bis(((1-oxo-2-propenyl)oxy)methyl)propoxy)methyl)-2-(((1-oxo-2-propenyl)oxy)methyl)-1,3-propanediyl ester
dipentaerythritol hexa-acrylate
SCHEMBL268293
MFCD13194852
2-Propenoic acid, 1,1′-(2-((3-((1-oxo-2-propen-1-yl)oxy)-2,2-bis(((1-oxo-2-propen-1-yl)oxy)methyl)propoxy)methyl)-2-(((1-oxo-2-propen-1-yl)oxy)methyl)-1,3-propanediyl) ester
BS-49656
FD179368
D5688
NS00050369
F71289
2-((3-((1-Oxoallyl)oxy)-2,2-bis(((1-oxoallyl)oxy)methyl)propoxy)methyl)-2-(((1-oxoallyl)oxy)methyl)-1,3-propanediyl diacrylate
2-Propenoicacid,2-[[3-[(1-oxo-2-propenyl)oxy]-2,2-bis[[(1-oxo-2-propenyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxo-2-propenyl)oxy]methyl]-1,3-propanediylester
Molecular FormulaC28H34O13
Molecular Weight578.6
InChIInChI=1S/C28H34O13/c1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6/h7-12H,1-6,13-20H2
InChI KeyMPIAGWXWVAHQBB-UHFFFAOYSA-N
SMILESC=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
Patent Information
Patent IDTitlePublication Date
TW2021/46373Photosensitive composition, cured product, manufacturing method of cured product, and photopolymerizable composition2021
WO2018/99835CARBON-COMPRISING UNDERLAYER-FORMING COMPOSITION AND METHODS FOR MANUFACTURING CARBON-COMPRISING UNDERLAYER AND DEVICE USING THE SAME2018
KR101613139GRAY COMPOSITION2016
KR2015/49345Polyfunctional photocurable monomers having the sulfonic acid compounds, and photocurable resin composition comprising the same2015
EP775941Radiation sensitive composition for color filters1997

Physical Data

Melting Point, °C
48.7 – 59.4

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHz
Chemical shifts1Hchloroform-d1400
Chemical shifts13Cchloroform-d1100

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Dipentaerythritol hexaacrylate CAS 29570-58-9
Route of Synthesis (ROS) of Dipentaerythritol hexaacrylate CAS 29570-58-9
ConditionsYield
With sulfuric acid; 4-methoxy-phenol In toluene at 110℃; for 3h;

Experimental Procedure
[Synthesis of Photopolymerizable Compound B-2 (Photopolymerizable Compound (B2))]
15.00 g of photopolymerizable compound B-1, 45 mL of toluene,0.08 g of 4-methoxyphenol and 0.13 g of concentrated sulfuric acid were put into a four-necked flask. Separately, 1.86 g of acrylic acid was dissolved in 1.86 mL of toluene and put into a dropping funnel. After the toluene solution of the acrylic acid was added dropwise to the four-necked flask, the temperature was raised,Aged for 3 hours at 110°C. Then, after cooling to room temperature, water-based liquid separation washing,Separation washing with NaHCO3 solution and separation washing with ion-exchanged water. Next, 0.08 g of 4-methoxyphenol was charged, and concentrated with a rotary evaporator, and then,Sorting using a medium pressure column (manufactured by Yamazen Co., Ltd.),Thus, 15.54 g of the following photopolymerizable compound B-2 was obtained (yield 92.1%, purity 100%).		92.1%

Safety and Hazards

Pictogram(s)exclamation-mark
SignalDanger
GHS Hazard StatementsH315 (16.6%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (60.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (86.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H412 (52.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement CodesP261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501

Other Data

Druglikeness
Lipinski rules component
Molecular Weight578.57
logP2.366
HBA13
HBD0
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)167.03
Rotatable Bond (RotB)28
Matching Veber Rules0
Use Pattern
Dipentaerythritol hexaacrylate#: CAS 29570-58-9 is a multifunctional acrylate crosslinking monomer widely used in UV-curable coatings, inks, photoresins, and 3D printing materials. It significantly enhances hardness, scratch resistance, and mechanical strength of coatings and products, and is also applied in electronic encapsulation and optical materials to improve chemical resistance and heat durability.

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