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Butylhydroxyanisole

CAT: 0244-E1925-250mgSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0244-E1925-250mgSize:250 mg
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CAS Number
25013-16-5

Chemical Information

Butylated Hydroxyanisole

3-tert-butyl-4-hydroxyanisole is an aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group. It has a role as an antioxidant and a human xenobiotic metabolite. It is a member of phenols and an aromatic ether.

CAS Number25013-16-5
PubChem CID8456
IUPAC Name2-tert-butyl-4-methoxyphenol
Molecular FormulaC11H16O2
Molecular Weight180.24
XLogP3.2
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity160
SMILES
CC(C)(C)C1=C(C=CC(=C1)OC)O
InChI
InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
InChIKey
MRBKEAMVRSLQPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butylated Hydroxyanisole
CAS: 25013-16-5
CID: 8456
Formula: C11H16O2
MW: 180.24
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.24
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass180.115029749
Monoisotopic Mass180.115029749
Topological Polar Surface Area29.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity160
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

Alternative Products

CatalogName
BUP18442-01Butylhydroxyanisole
RM-B080104-01Butylhydroxyanisole Impurity 4
HY-B1066R-01Butylhydroxyanisole (Standard)
B29215-01Tert-Butylhydroxyanisole 98%
AR-A02215-01Butylhydroxyanisole (Mixture of Isomers)
RM-B080103-01Butylhydroxyanisole Impurity 3
RM-B080106-01Butylhydroxyanisole Impurity 6
RM-B080105-01Butylhydroxyanisole Impurity 5
RM-B080102-01Butylhydroxyanisole O-Desmethyl Impurity
AR-B08199-01Butylhydroxyanisole-d3 (Mixture of Isomers)

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