Butylated Hydroxytoluene

Butylated Hydroxytoluene
Compound Structure:
Synonyms: 2,6-Di-tert-butyl-4-methylphenol;128-37-0;Butylhydroxytoluene;2,6-Di-tert-butyl-p-cresol;Ionol;DBPC;Stavox;BHT;Impruvol;Ionol CP;Dalpac;Deenax;Dibunol;Ionole; Kerabit;Topanol;Vianol;Antioxidant KB;Antioxidant 4K;Topanol O;Topanol OC
Compound ID: NMPC-702
PubChem ID:

31404

Molecular Formula: C15H24O
Canonical SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChIKey: NLZUEZXRPGMBCV-UHFFFAOYSA-N
About the compound:

Butylated hydroxytoluene (BHT), also known as dibutylhydroxytoluene, is a lipophilic organic compound, chemically a derivative of phenol, that is useful for its antioxidant properties.BHT is widely used to prevent free radical-mediated oxidation in fluids (e.g. fuels, oils) and other materials, and the regulations overseen by the U.S. F.D.A.—which considers BHT to be "generally recognized as safe"—allow small amounts to be added to foods. Despite this, and the earlier determination by the National Cancer Institute that BHT was noncarcinogenic in an animal model, societal concerns over its broad use have been expressed. BHT has also been postulated as an antiviral drug, but as of December 2022, use of BHT as a drug is not supported by the scientific literature and it has not been approved by any drug regulatory agency for use as an antiviral. 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 an antioxidant, a food additive, a ferroptosis inhibitor and a geroprotector. It is functionally related to a phenol.

GHS Hazard Statements

H400 (44.64%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

H410 (88.43%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

First Aid

Eyes: If a victim's eyes are exposed:

Remove any contact lenses.

Flush the eyes with water or saline for 20-30 minutes.

Avoid using ointments or medications unless directed by a physician.

Call a hospital or poison control center while flushing.

Immediately transport the victim to a hospital after flushing, even if there are no symptoms.

Skin: For skin exposure:

Immediately rinse the skin with water, removing any contaminated clothing.

Wash the affected areas with soap and water.

If redness or irritation occurs, call a physician and prepare to transport the victim to a hospital.

Inhalation: If inhaled:

Leave the contaminated area immediately and breathe fresh air.

If symptoms like wheezing or coughing occur, call a physician and prepare for hospital transport.

Rescuers should use respiratory protection, preferably a Self-Contained Breathing Apparatus (SCBA).

Ingestion: If ingested:

Do not induce vomiting.

If the victim is conscious and not convulsing, give 1-2 glasses of water to dilute the chemical and call for medical help immediately.

If the victim is unconscious or convulsing, keep the airway open, position them with their head lower than their body, and transport them to a hospital immediately.

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.


Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

220.35 g/mol

XLogP3-AA

5.3

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

2

Exact Mass

220.182715385 g/mol

Monoisotopic Mass

220.182715385 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

207

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

White, crystalline or flaked solid, odourless or having a characteristic faint aromatic odour

Boiling Point

265.00 °C. @ 760.00 mm Hg

 

Melting Point

71 °C

Density

1.048 at 68 °F (NTP, 1992) - Denser than water; will sink

Solubility 

Insoluble in water and propane- 1,2-diol; Freely soluble in ethanol

Vapor Pressure

Vapor pressure, Pa at 20 °C: 1.3

Source: PubChem

            

Source Species: Eryngium foetidum
Prosopis africana
Guiera senegalensis
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