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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 (29570-58-9)

Identification
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
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
CAS:29570-58-9
EINECS: 249-698-0
Molecular Formula: C28H34 O13
Molecular Weight: 578.56
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
Molecular Structure: (C28H34O13) 2-Propenoicacid,2-[[3-[(1-oxo-2-propenyl)oxy]-2,2-bis[[(1-oxo-2-propenyl)oxy]methyl]propoxy]methyl]-...
Properties
Flash Point: 266.2°C
Boiling Point: 640.7°C at 760 mmHg
Density:1.184g/cm3
Refractive index:1.494
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

Flash Point: 266.2°C
Safety Data
 

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