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29570-58-9

Basic Information
CAS No.: 29570-58-9
Name: 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
Article Data: 5
Cas Database
Molecular Structure:
Molecular Structure of 29570-58-9 (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)
Formula: C28H34O13
Molecular Weight: 578.57
Synonyms: 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 (9CI);Acrylic acid, hexaester with dipentaerythritol (8CI);A 9550;A-DPA;A-DPH;ADP 6;Actilane 450;Aronix 450;Aronix M 401B;Aronix M 404;Aronix TO 1450;Beam Set 700;DPE 6A;DPHA;Dipentaerythritol hexaacrylate;Kayarad DPS 100;Light Acrylate DPE 6A;Light Acrylate DPE 6E;Light AcrylateDPH 6A;Lumicure DPA 620;M 406;Miramer 600;Miramer M 600;NK Ester A-DPH;NKEster ADP 6;Nopcomer 4612;Photomer 4600;TO 1450;
EINECS: 249-698-0
Density: 1.184 g/cm3
Melting Point: N/A
Boiling Point: 640.7 °C at 760 mmHg
Flash Point: 266.2 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 167.03000
LogP: 1.35100
Synthetic route
126-58-9

Dipentaerythritol

79-10-7

acrylic acid

29570-58-9

dipentaerythritol hexaacrylate

Conditions
ConditionsYield
Stage #1: Dipentaerythritol; acrylic acid With hydroquinone; sulfuric acid In toluene at 120℃; under 450.045 Torr; for 10h;
Stage #2: With sodium hydroxide In water; toluene Product distribution / selectivity;
868-77-9

2-methyl-2-propenoic acid 2-hydroxyethyl ester

79-41-4

poly(methacrylic acid)

2495-37-6

benzyl methacrylate

29570-58-9

dipentaerythritol hexaacrylate

3121-61-7

2-methoxyethyl acrylate

126-58-9

Dipentaerythritol

A

dipentaerythritol monohydroxypentaacrylate

B

29570-58-9

dipentaerythritol hexaacrylate

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane; zinc diacetate; oxygen; 4-methoxy-phenol at 120 - 145℃; under 250 - 760 Torr; for 24h; Inert atmosphere; Overall yield = 99 %;
With 1,4-diaza-bicyclo[2.2.2]octane; zinc diacetate; oxygen; 4-methoxy-phenol at 120 - 145℃; under 250 - 760 Torr; for 24h; Catalytic behavior; Inert atmosphere; Overall yield = 86 %;
With 1,4-diaza-bicyclo[2.2.2]octane; zinc diacetate; oxygen; 4-methoxy-phenol at 120 - 145℃; under 250 - 760 Torr; for 24h; Catalytic behavior; Inert atmosphere; Overall yield = 86 %;
29570-58-9

dipentaerythritol hexaacrylate

polymer resin; monomer(s): dipentaerythritol pentaacrylate, dipentaerythritol hexaacrylate

polymer resin; monomer(s): dipentaerythritol pentaacrylate, dipentaerythritol hexaacrylate

Conditions
ConditionsYield
With hydroxyl cellulose; Ethyl isobutyrate; dibenzoyl peroxide In water at 80℃; for 8h; Product distribution; Further Variations:; Reagents;97%

dipentaerythritol monohydroxypentaacrylate

29570-58-9

dipentaerythritol hexaacrylate

poly[(dipentaerythritol pentaacrylate)-co-(dipentaerythritol hexaacrylate)], photocured stereolithography; monomer(s): dipentaerythritol pentaacrylate; dipentaerythritol hexaacrylate

poly[(dipentaerythritol pentaacrylate)-co-(dipentaerythritol hexaacrylate)], photocured stereolithography; monomer(s): dipentaerythritol pentaacrylate; dipentaerythritol hexaacrylate

Conditions
ConditionsYield
With Camphorquinone UV-irradiation;
100-61-8

N-methylaniline

29570-58-9

dipentaerythritol hexaacrylate

1337537-32-2

C70H88N6O13

Conditions
ConditionsYield
acetic acid at 100℃; for 5.5h; Michael Condensation;
1260148-92-2

2-methyl-1-(4-methylsulfanylphenyl)-2-piperazin-1-yl-propan-1-one

29570-58-9

dipentaerythritol hexaacrylate

1260149-05-0

C43H56N2O14S

Conditions
ConditionsYield
at 20℃; for 24h; Michael addition;
1260148-96-6

2-methyl-2-piperazin-1-yl-1-(4-piperazin-1-yl-phenyl)-butan-1-one

29570-58-9

dipentaerythritol hexaacrylate

1260149-08-3

C75H98N4O27

Conditions
ConditionsYield
at 20℃; for 24h; Michael addition;

C28H39N5O2

29570-58-9

dipentaerythritol hexaacrylate

C84H107N5O28

Conditions
ConditionsYield
at 20℃; for 24h; Michael Addition;40 g
67385-09-5

2-[(tert-butoxycarbonyl)amino]-1-ethanethiol

29570-58-9

dipentaerythritol hexaacrylate

C42H64N2O17S2

Conditions
ConditionsYield
at 45℃; Michael Addition;
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Specification

The Dipentaerythritol hexaacrylate is an organic compound with the formula C28H34O13. The IUPAC name of this chemical is [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. With the CAS registry number 29570-58-9, it is also named as 2-((3-((1-Oxoallyl)oxy)-2,2-bis(((1-oxoallyl)oxy)methyl)propoxy)methyl)-2-(((1-oxoallyl)oxy)methyl)-1,3-propanediyl diacrylate. The product's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about Dipentaerythritol hexaacrylate are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.48; (6)ACD/BCF (pH 7.4): 44.48; (7)ACD/KOC (pH 5.5): 526.44; (8)ACD/KOC (pH 7.4): 526.44; (9)#H bond acceptors: 13 ; (10)#Freely Rotating Bonds: 28; (11)Polar Surface Area: 167.03 Å2; (12)Index of Refraction: 1.494; (13)Molar Refractivity: 142.44 cm3; (14)Molar Volume: 488.6 cm3; (15)Polarizability: 56.47×10-24cm3; (16)Surface Tension: 41.2 dyne/cm; (17)Density: 1.184 g/cm3; (18)Flash Point: 266.2 °C; (19)Enthalpy of Vaporization: 94.59 kJ/mol; (20)Boiling Point: 640.7 °C at 760 mmHg; (21)Vapour Pressure: 2.6E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(COCC(COC(=O)\C=C)(COC(=O)\C=C)COC(=O)\C=C)(COC(=O)\C=C)COC(=O)\C=C)\C=C
(2)InChI: InChI=1/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
(3)InChIKey: MPIAGWXWVAHQBB-UHFFFAOYAL
(4)Std. InChI: InChI=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
(5)Std. InChIKey: MPIAGWXWVAHQBB-UHFFFAOYSA-N