Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]

• Catalog Number: ACM35074772-1
• Product Name: Hexamethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
• CAS: 35074-77-2
• Category: Heterocyclic Organic Compound
• 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
• Molecular Weight: 638.92
• Molecular Formula: C40H62O6
• 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

Custom Reviews

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.

Custom Q&A

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.