Basic information
- Name:
Benzenepropanoic acid,3,5-bis(1,1-dimethylethyl)-4-hydroxy-,1,1'-[(1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)] ester
- Superlist Name:
- (1,2-Dioxoethylene)bis(iminoethylene) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)
- CAS No.:
70331-94-1
- Molecular Structure:
![Molecular Structure of 70331-94-1 (Benzenepropanoic acid,3,5-bis(1,1-dimethylethyl)-4-hydroxy-,1,1'-[(1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)] ester)](http://www.lookchem.com/300w/2010/0623/70331-94-1.jpg)
- Formula:
- C40H60N2O8
- Molecular Weight:
- 696.91
- Synonyms:
- Benzenepropanoicacid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-,(1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) ester (9CI);2,2'-Oxamidobis[ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate];2,2'-Oxamidodiethyl bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate];N,N'-Bis(2-hydroxyethyl)oxamide bis[b-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate];Naugard XL 1;XL 1;
- EINECS:
- 274-572-7
- Density:
- 1.105 g/cm3
- Appearance:
- white powder
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Specification
The IUPAC name of Benzenepropanoic acid,3,5-bis(1,1-dimethylethyl)-4-hydroxy-,1,1'-[(1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)] ester is 2-[[2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylamino]-2-oxoacetyl]amino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate. With the CAS registry number 70331-94-1, it is also named as (1,2-Dioxoethylene)bis(iminoethylene) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate). The product's categories are Industrial / Fine Chemicals; Organics. Besides, it is white powder. In addition, its molecular formula is C40H60N2O8 and molecular weight is 696.91. Furthermore, this chemical is used as stabilizing agent of polyolefin, polyurethane, ABS resin and other communication cable.
The other characteristics of Benzenepropanoic acid,3,5-bis(1,1-dimethylethyl)-4-hydroxy-,1,1'-[(1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)] ester can be summarized as: (1)EINECS: 274-572-7; (2)ACD/LogP: 8.69; (3)# of Rule of 5 Violations: 3; (4)ACD/LogD (pH 5.5): 8.69; (5)ACD/LogD (pH 7.4): 8.69; (6)ACD/BCF (pH 5.5): 1000000; (7)ACD/BCF (pH 7.4): 1000000; (8)ACD/KOC (pH 5.5): 1267777.63; (9)ACD/KOC (pH 7.4): 1267493.63; (10)H bond acceptors: 10; (11)H bond donors: 4; (12)Freely Rotating Bonds: 21; (13)Polar Surface Area: 111.68 Å2; (14)Index of Refraction: 1.529; (15)Molar Refractivity: 194.72 cm3; (16)Molar Volume: 630.4 cm3; (17)Polarizability: 77.19×10-24cm3; (18)Surface Tension: 40.6 dyne/cm; (19)Density: 1.105 g/cm3.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OCCNC(=O)C(=O)NCCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C
(2)InChI:InChI=1/C40H60N2O8/c1-37(2,3)27-21-25(22-28(33(27)45)38(4,5)6)13-15-31(43)49-19-17-41-35(47)36(48)42-18-20-50-32(44)16-14-26-23-29(39(7,8)9)34(46)30(24-26)40(10,11)12/h21-24,45-46H,13-20H2,1-12H3,(H,41,47)(H,42,48)
(3)InChIKey:OXWDLAHVJDUQJM-UHFFFAOYAF
