96-76-4
2,4-Di-tert-butylphenol
CAS: 96-76-4
Molecular Formula: C14H22O
96-76-4 - Names and Identifiers
| Name | 2,4-Di-tert-butylphenol |
| Synonyms | 2,4 DTBP 2,4-tert-butylphenol 2,4-DI-T-BUTYLPHENOL 2,4-DI-TERT-BUTYLPHENOL 2,4-di-tert-butyl-pheno 2.4-Di-tert-butylphenol 2,4-Di-tert-butylphenol 2,4-di(1,1-dimethylethyl)-pheno 2,4-bis(1,1-dimethylethyl)-pheno 2,4-bis(1,1-dimethylethyl)-phenol |
| CAS | 96-76-4 |
| EINECS | 202-532-0 |
| InChI | InChI=1/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 |
96-76-4 - Physico-chemical Properties
| Molecular Formula | C14H22O |
| Molar Mass | 206.32 |
| Density | 0.887 |
| Melting Point | 53-56°C(lit.) |
| Boling Point | 265°C(lit.) |
| Flash Point | 239°F |
| Water Solubility | practically insoluble |
| Solubility | Soluble in alcohols, esters, alkanes, aromatic hydrocarbons and other organic solvents, almost insoluble in water. |
| Vapor Presure | 1 mm Hg ( 84.5 °C) |
| Appearance | Transparent to yellowish semisolid/brownish solid |
| Color | White to yellow |
| BRN | 1910383 |
| pKa | 11.56±0.18(Predicted) |
| PH | 4.5 (H2O, 20℃)(saturated aqueous solution) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Combustible. Incompatible with acid chlorides, oxidizing agents, acid anhydrides, copper, copper alloys, bases, brass. |
| Sensitive | Sensitive to light |
| Refractive Index | 1.5080 |
| MDL | MFCD00008828 |
| Physical and Chemical Properties | Melting point 54-59°C boiling point 264°C flash point 115°C water-soluble practically insoluble |
| Use | For the synthesis of antioxidant 168, P-EPQ, light stabilizer 120UV-327, UV-320, UV absorber, reclaimed rubber activator 460, plasticizer |
96-76-4 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R43 - May cause sensitization by skin contact R36/38 - Irritating to eyes and skin. R22 - Harmful if swallowed R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R41 - Risk of serious damage to eyes R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S37/39 - Wear suitable gloves and eye/face protection S29 - Do not empty into drains. S24 - Avoid contact with skin. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S60 - This material and its container must be disposed of as hazardous waste. |
| UN IDs | UN 2430 8/PG 3 |
| WGK Germany | 2 |
| RTECS | SK8260000 |
| TSCA | Yes |
| HS Code | 29071900 |
| Hazard Class | 9 |
| Packing Group | III |
96-76-4 - Reference
| Reference Show more | 1. Zhang Yun, Ma Shaoying, Lu Xu, et al. Isolation and identification of exudates from pea roots and their allelopathic effects [J]. Plant physiology Communications, 2018, 3(3):3-3. 2. Zhang, Y.C., huang, R., lüs, F.L. et al. Aerobic oxidation of alcohol by copper(I)/benzoxazine ligand/TEMPO under milds and base-free conditions. Russ J Gen Chem 85, 1965-1972 (2015). https://doi.org/10.1134/S1070363215080277 |
96-76-4 - Introduction
Combustible has a special alkylphenol smell. Soluble in alcohols, esters, alkanes, aromatic hydrocarbons and other organic solvents, almost insoluble in water.
Last Update：2022-10-16 17:30:22
96-76-4 - Reference Information
| LogP | 4.8 at 23℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 2, 4-di-tert-butylphenol widely exists in plants and is also an important intermediate of fine chemical products, mainly used for the preparation of antioxidant 168, but also for the preparation of polyisobutylene, polyamide, polycarbonate, etc.; Can be used for the production of antioxidants (300, 314), UV absorbers, light stabilizers 120, dyes and textile auxiliaries, 2402 resin. In addition, it is also used for the synthesis of perfumes, activators 460, initiators TBCP, pesticide emulsifiers, especially additives. |
| Use | can be used as an intermediate of antioxidant, stabilizer and ultraviolet absorber. used as antioxidant, UV absorber, etc. is an important intermediate of a variety of light stabilizers, antioxidants Antioxidant 168, antioxidant P-EPQ, light stabilizer 120,UV-327, UV-320, reclaimed rubber activator and other opportunities to synthesize intermediates for the synthesis of antioxidant 168, P-EPQ, light stabilizer 120UV-327, UV-320, UV absorber, reclaimed rubber activator 460, plasticizers, etc. The main raw materials for the preparation of phosphite antioxidants |
| production method | results from the alkylation of phenol with isobutene. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:53
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