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Butylated hydroxytoluene (BHT)

CAT: 0024-sc-204659Size: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-204659Size:100 g
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CAS Number
128-37-0

Chemical Information

2,6-Di-tert-butyl-4-methylphenol

2,6-di-tert-butyl-4-methylphenol is a member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6. It has a role as a ferroptosis inhibitor, a geroprotector, an antioxidant and a food additive. It is functionally related to a phenol.

CAS Number128-37-0
PubChem CID31404
IUPAC Name2,6-ditert-butyl-4-methylphenol
Molecular FormulaC15H24O
Molecular Weight220.35
XLogP5.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity207
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
InChIKey
NLZUEZXRPGMBCV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Di-tert-butyl-4-methylphenol
CAS: 128-37-0
CID: 31404
Formula: C15H24O
MW: 220.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.35
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass220.182715385
Monoisotopic Mass220.182715385
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity207
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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