CAS
3493-12-7 Purity
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3493-12-7 Purity
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![7-(2,2-Dimethyl-5-oxo-4-phenyl-imidazolidin-1-yl)-3,3-dimethyl-6-oxo-2-thia-5-azabicyclo[3.2.0]heptane-4-carboxylic acid](https://resource.alfa-chemistry.com/structure/3511-16-8.gif)
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Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
CAS
35074-77-2
Catalog Number
ACM35074772-1
Category
Other Products
Molecular Weight
638.92
Molecular Formula
C40H62O6
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Specification
Synonyms
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,6-hexanediyl ester
IUPAC Name
6-[3-(3,5-Ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Canonical SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCCCCCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C40H62O6/c1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12/h23-26,43-44H,13-22H2,1-12H3
InChI Key
ZVVFVKJZNVSANF-UHFFFAOYSA-N
Boiling Point
648.1±55.0 °C
Density
1.032±0.06 g/cm3
Complexity
805
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
638.45463969
Formal Charge
0
Heavy Atom Count
46
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
638.45463969
Rotatable Bond Count
19
Topological Polar Surface Area
93.1 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
July 19, 2023
Stable antioxidant
Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] has a very stable long chain structure and improves the continuous antioxidant property of the material.
What is the molecular formula of Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]?
The molecular formula is C40H62O6.
What is the molecular weight of Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]?
The molecular weight is 638.9 g/mol.
What is the IUPAC name of Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]?
The IUPAC name is 6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.
What is the InChI of Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]?
The InChI is InChI=1S/C40H62O6/c1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12/h23-26,43-44H,13-22H2,1-12H3.
What is the InChIKey of Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]?
The InChIKey is ZVVFVKJZNVSANF-UHFFFAOYSA-N.
What is the canonical SMILES of Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]?
The canonical SMILES is CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCCCCCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.
What is the CAS number of Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]?
The CAS number is 35074-77-2.
What is the molecular weight of Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] according to PubChem?
The computed molecular weight is 638.9 g/mol.
What is the XLogP3-AA value of Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]?
The XLogP3-AA value is 11.2.
How many rotatable bonds does Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] have?
It has 19 rotatable bonds.
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