Introduction：Basic information about 2,4-Di-tert-butylphenol CAS 96-76-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2,4-Di-tert-butylphenol Basic information
| Product Name: | 2,4-Di-tert-butylphenol |
| Synonyms: | 2,4-bis(1,1-dimethylethyl)-pheno;2,4-di(1,1-dimethylethyl)-pheno;2,4-di-tert-butyl-pheno;2,4-tert-butylphenol;2,4-bis(1,1-dimethylethyl)-phenol;2,4-DI-TERT-BUTYLPHENOL;2,4-DI-T-BUTYLPHENOL;2,4 DTBP |
| CAS: | 96-76-4 |
| MF: | C14H22O |
| MW: | 206.32 |
| EINECS: | 202-532-0 |
| Product Categories: | Heterocycles;Bioactive Small Molecules;Building Blocks;C9 to C20+;Cell Biology;Chemical Synthesis;Industrial/Fine Chemicals;Organics;Organic Building Blocks;Oxygen Compounds;Phenols;D-DIF;Organic Building Blocks;Oxygen Compounds;96-76-4 |
| Mol File: | 96-76-4.mol |
|
2,4-Di-tert-butylphenol Chemical Properties
| Melting point | 53-56 °C(lit.) |
| Boiling point | 265 °C(lit.) |
| density | 0.887 |
| vapor pressure | 1 mm Hg ( 84.5 °C) |
| refractive index | 1.5080 |
| Fp | 239 °F |
| storage temp. | Store below +30°C. |
| solubility | water: soluble0.033g/L at 25°C |
| pka | 11.56±0.18(Predicted) |
| form | Crystalline Solid |
| color | White to yellow |
| PH | 4.5 (H2O, 20℃)(saturated aqueous solution) |
| Water Solubility | practically insoluble |
| BRN | 1910383 |
| Stability: | Stable. Combustible. Incompatible with acid chlorides, oxidizing agents, acid anhydrides, copper, copper alloys, bases, brass. |
| InChI | 1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3 |
| InChIKey | ICKWICRCANNIBI-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(O)c(c1)C(C)(C)C |
| LogP | 4.8 at 23℃ |
| CAS DataBase Reference | 96-76-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Phenol, 2,4-bis(1,1-dimethylethyl)-(96-76-4) |
| EPA Substance Registry System | 2,4-Di-tert-butylphenol (96-76-4) |
Safety Information
| Hazard Codes | Xi,N,Xn,T,F |
| Risk Statements | 36/37/38-50/53-43-36/38-22-51/53-41-39/23/24/25-23/24/25-11-52/53 |
| Safety Statements | 26-36/37-61-37/39-29-24-45-36/37/39-60 |
| RIDADR | UN 2430 8/PG 3 |
| WGK Germany | 2 |
| RTECS | SK8260000 |
| TSCA | TSCA listed |
| HazardClass | 9 |
| PackingGroup | III |
| HS Code | 29071900 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Irrit. 2 |
| Hazardous Substances Data | 96-76-4(Hazardous Substances Data) |
2,4-Di-tert-butylphenol Usage And Synthesis
| Chemical Properties | light yellow crystals |
| Uses | A chemical constituent of volatile oils from Catunaregam spinosa fruits. |
| Uses | Phenolic Phosphites, UV Stabilizer Intermediate |
| Uses | 2,4-Di-tert-butylphenol is used to study its alkylation reaction with cinnamyl alcohol in the presence of Al-substituted disordered hexagonal molecular silica catalysts. It is a raw material for phosphite anti-oxidants. The antioxidants are primarily used in the manufacture of polyolefins. It is also used as an intermediate for the preparation of UV stabilizers and in manufacturing of pharmaceuticals and fragrances. |
| Definition | ChEBI: 2,4-di-tert-butylphenol is a member of the class of phenols carrying two tert-butyl substituents at positions 2 and 4. It has a role as a bacterial metabolite, an antioxidant and a marine metabolite. It is an alkylbenzene and a member of phenols. |
| Synthesis Reference(s) | Tetrahedron Letters, 33, p. 5555, 1992 DOI: 10.1016/S0040-4039(00)61144-9 |
| General Description | 2,4-Di-tert-butylphenol is isolated from the dried body of Scolopendra and possess antioxidative activity. |
| Flammability and Explosibility | Non flammable |
2,4-Di-tert-butylphenol Preparation Products And Raw materials
| Raw materials | Phenol-->Isobutylene |
| Preparation Products | Antioxidant 168-->2-(2'-Hydroxy-3',5'-di-tert-butylphenyl)-5-chlorobenzotriazole-->Ultranox 626-->2,2'-ETHYLIDENEBIS(4,6-DI-TERT-BUTYLPHENOL)-->Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitro--->5-AMino-2,4-di-tert-butylphenol-->UV-320-->2-Benzyl-4,6-bis(tert-butyl)phenol-->Benzene, 2,4-bis(1,1-dimethylethyl)-1-[(trimethylsilyl)oxy]- |
