CAS 64502-99-4|Butylated hydroxytoluene-d21
| Common Name | Butylated hydroxytoluene-d21 | ||
|---|---|---|---|
| CAS Number | 64502-99-4 | Molecular Weight | 241.48000 |
| Density | / | Boiling Point | 265ºC(lit.) |
| Molecular Formula | C15H3D21O | Melting Point | 69-71ºC(lit.) |
| MSDS | ChineseUSA | Flash Point | 260.6 °F |
| Symbol | GHS07, GHS09 | Signal Word | Warning |
Names
| Name | 1,5-dideuterio-3-deuteriooxy-2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylbenzene |
|---|---|
| Synonym | More Synonyms |
Butylated hydroxytoluene-d21 BiologicalActivity
| Description | Butylated hydroxytoluene-d21 is the deuterium labeled Butylated hydroxytoluene[1]. Butylated hydroxytoluene is an antioxidant widely used in foods and in food-related products[2]. Butylated hydroxytoluene is a Ferroptosis inhibitor[3]. |
|---|---|
| Related Catalog | Research Areas >>CancerSignaling Pathways >>Apoptosis >>Ferroptosis |
| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. Babich H, et al. Butylated hydroxytoluene (BHT): a review. Environ Res. 1982 Oct;29(1):1-29. [3]. Umemura T, et al. Butylhydroxytoluene (BHT) increases susceptibility of transgenic rasH2 mice to lung carcinogenesis. J Cancer Res Clin Oncol. 2001 Oct127(10):583-90. [4]. Stockwell BR, et al. Ferroptosis: A Regulated Cell Death Nexus Linking Metabolism, Redox Biology, and Disease. ell. 2017 Oct 5171(2):273-285. |
Chemical & Physical Properties
| Boiling Point | 265ºC(lit.) |
|---|---|
| Melting Point | 69-71ºC(lit.) |
| Molecular Formula | C15H3D21O |
| Molecular Weight | 241.48000 |
| Exact Mass | 241.31500 |
| PSA | 20.23000 |
| LogP | 4.29560 |
| InChIKey | NLZUEZXRPGMBCV-YLENQQAOSA-N |
| SMILES | Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 |
Safety Information
| Symbol | GHS07, GHS09 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H315-H319-H411 |
| Precautionary Statements | P273-P305 + P351 + P338 |
| Hazard Codes | Xn: Harmful; |
| Risk Phrases | 20/21/22-36/37/38 |
| Safety Phrases | 7-22-26-37/39 |
| RIDADR | UN 3077 9 / PGIII |
| Flash Point(F) | 260.6 °F |
| Flash Point(C) | 127 °C |
Articles2
More Articles| Determination of synthetic phenolic antioxidants and relative metabolites in sewage treatment plant and recipient river by high performance liquid chromatography-electrospray tandem mass spectrometry. J. Chromatogr. A. 1381 , 13-21, (2015) Robust analytical methods were developed for the determination of eight emerging synthetic phenolic antioxidants (SPAs) and three metabolites in sewage sludge, effluent and river water matrices. Accel... | |
| Synthetic Phenolic Antioxidants and Their Metabolites in Indoor Dust from Homes and Microenvironments. Environ. Sci. Technol. 50 , 428-34, (2016) Synthetic phenolic antioxidants (SPAs), including 2,6-di-tert-butyl-4-hydroxytoluene (BHT), are extensively used in food, cosmetic and plastic industries. Nevertheless, limited information is availabl... |
Synonyms
| MFCD00209760 |
| BHT-d21 |
