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Butylated hydroxytoluene

CAT: 0804-HY-Y0172-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0172-01Size:100 mg
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Description
Butylated hydroxytoluene is an antioxidant widely used in foods and in food-related products[1]. Butylated hydroxytoluene is a Ferroptosis inhibitor[2].
CAS Number
128-37-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H360, H373, H410
Target
Endogenous Metabolite; Ferroptosis
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/butylated-hydroxytoluene.html
Purity
99.99
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC1=C(C(C)(C)C)C=C(C)C=C1C(C)(C)C
Molecular Formula
C15H24O
Molecular Weight
220.36
Precautions
H302, H315, H319, H360, H373, H410
References & Citations
[1]Babich H, et al. Butylated hydroxytoluene (BHT) : a review. Environ Res. 1982 Oct;29 (1) :1-29.|[2]Umemura T, et al. Butylhydroxytoluene (BHT) increases susceptibility of transgenic rasH2 mice to lung carcinogenesis. J Cancer Res Clin Oncol. 2001 Oct;127 (10) :583-90.|[3]Stockwell BR, et al. Ferroptosis: A Regulated Cell Death Nexus Linking Metabolism, Redox Biology, and Disease. ell. 2017 Oct 5;171 (2) :273-285.
Shipping Conditions
Room Temperature
Storage Conditions
RT, stored under nitrogen
Scientific Category
Reference compound1
Clinical Information
Phase 1

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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