(2,4-ditert-butylphenyl) 3,5-ditert-butyl-4-hydroxybenzoate

CAS: 4221-80-1

Molecular Formula	`C29H42O3`
Molecular Weight	438.6 g/mol
LogP	9.7
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	438.3134
Heavy Atoms	32
Complexity	613.0

Chemical Identifiers

CAS Number	4221-80-1
SMILES	`CC(C)(C)C1=CC(=C(C=C1)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(C)(C)C`
InChIKey	`KJYSXRBJOSZLEL-UHFFFAOYSA-N`

📖 Product Overview

(2,4-ditert-butylphenyl) 3,5-ditert-butyl-4-hydroxybenzoate (CAS: 4221-80-1) is a chemical compound with molecular formula C29H42O3 and molecular weight 438.6 g/mol. Its IUPAC systematic name is (2,4-ditert-butylphenyl) 3,5-ditert-butyl-4-hydroxybenzoate. LogP 9.7 Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 7 Exact Mass 438.3134 Heavy Atoms 32 Complexity 613.0 InChI Key: KJYSXRBJOSZLEL-UHFFFAOYSA-N. SMILES: CC(C)(C)C1=CC(=C(C=C1)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(C)(C)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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