4-(1,1-Dimethylethyl)-1,2-benzenediol
4-tert-Butylcatechol(TBC)
CAS: 98-29-3
Molecular Formula: C10H14O2
4-(1,1-Dimethylethyl)-1,2-benzenediol - Names and Identifiers
| Name | 4-tert-Butylcatechol(TBC) |
| Synonyms | TBC Butylcatechol T-BUTYL CATECHOL p-tert-Butylcatechol 4-TERT-BUTYLCATECHOL 4-tert-Butylcatechol 4-T-BUTYLPYROCATECHOL 4-TERT-BUTYLPYROCATECHOL 4-tert-Butylpyrocatechol 4-tert-Butylcatechol(TBC) 4-tert-Butyl Pyrocatechol 4-tert-butylbenzene-1,2-diol 4-TERT-BUTYL-1,2-BENZENEDIOL 4-tert-Butylcatechol solution 4-tert-Butyl-1,2-dihydroxybenzene 4-TERT-BUTYL-1,2-DIHYDROXYBENZENE Tris(2,3-Dibromopropyl-1)Isocyanurate 4-(1,1-DIMETHYLETHYL)-1,2-BENZENEDIOL 4-(1,1-Dimethylethyl)-1,2-benzenediol |
| CAS | 98-29-3 |
| EINECS | 202-653-9 |
| InChI | InChI=1/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3 |
| InChIKey | XESZUVZBAMCAEJ-UHFFFAOYSA-N |
4-(1,1-Dimethylethyl)-1,2-benzenediol - Physico-chemical Properties
| Molecular Formula | C10H14O2 |
| Molar Mass | 166.22 |
| Density | 1.049 |
| Melting Point | 52-55°C(lit.) |
| Boling Point | 285°C(lit.) |
| Flash Point | >230°F |
| Water Solubility | 0.2 g/100 mL (25 ºC) |
| Solubility | Soluble in ether, acetone, alcohol, and methanol (100 mg/ml). Insoluble in water |
| Vapor Presure | <1 hPa (25 °C) |
| Appearance | Colorless crystal |
| Color | White to Light yellow to Light red |
| Exposure Limit | ACGIH: TWA 5 ppm (Skin)NIOSH: TWA 5 ppm(20 mg/m3) |
| BRN | 2043335 |
| pKa | 9.92±0.10(Predicted) |
| Storage Condition | Store below +30°C. |
| Sensitive | Hygroscopic |
| Refractive Index | n20/D 1.508 |
| MDL | MFCD00002201 |
| Physical and Chemical Properties | Density 1.049 melting point 53-56°C boiling point 285°C flash point 129°C water-soluble 0.2g/100 mL (25°C) |
| Use | Used as a polymerization inhibitor for styrene, butadiene and other vinyl monomers, and as a stabilizer for antioxidants and pesticides |
4-(1,1-Dimethylethyl)-1,2-benzenediol - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R34 - Causes burns R43 - May cause sensitization by skin contact R21 - Harmful in contact with skin R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R21/22 - Harmful in contact with skin and if swallowed. R39/23/24/25 - R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R10 - Flammable R50/53 - Very toxic 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S24 - Avoid contact with skin. S60 - This material and its container must be disposed of as hazardous waste. |
| UN IDs | UN 2923 8/PG 3 |
| WGK Germany | 2 |
| RTECS | UX1400000 |
| TSCA | Yes |
| HS Code | 29072900 |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 815 mg/kg LD50 dermal Rat 1331 mg/kg |
4-(1,1-Dimethylethyl)-1,2-benzenediol - Nature
Open Data Verified Data
colorless needle-like crystals. Insoluble in water and petroleum ether. Flammable in case of open flame and high heat. Powder and air can form an explosive mixture, when it reaches a certain concentration, when Mars will be an explosion.
Last Update：2024-01-02 23:10:35
4-(1,1-Dimethylethyl)-1,2-benzenediol - Hair-making
Open Data Verified Data
xylene, catechol and phosphoric acid were obtained by reacting catechol with tert-butanol, and dissolved by stirring and heating. When the temperature was increased to reflux of xylene, A xylene solution of tert-butanol was added dropwise and the reaction was carried out. After cooling and standing, the xylene layer was neutralized with sodium carbonate, washed with water, and then subjected to reduced pressure distillation to obtain a finished product. Or by catechol and isobutylene reaction, phosphoric acid, xylene, catechol into the reaction kettle, heated to a certain temperature into isobutylene. After completion of the reaction, the reaction mixture was centrifuged and filtered, the filtrate was washed with saturated sodium chloride solution to pH 6, and the xylene was recovered by distillation, distilled under reduced pressure, and collected.
Last Update：2022-01-01 10:06:50
4-(1,1-Dimethylethyl)-1,2-benzenediol - Introduction
Flammable. After absorbing moisture, it becomes a viscous liquid. Soluble in methanol, carbon tetrachloride, benzene, ether, ethanol and acetone, solubility (25 ℃,100g solvent): methanol 500g, acetone 240g, ethyl acetate 240g, toluene 170g, benzene 80g. At 60 ℃, the polymerization resistance is 25 times higher than that of hydroquinone, and it is almost insoluble in petroleum ether. Low toxicity, half lethal dose (rat, oral) 2820mg/kg. It's irritating.
Last Update：2022-10-16 17:30:27
4-(1,1-Dimethylethyl)-1,2-benzenediol - Use
Open Data Verified Data
p-tert-butylcatechol polymerization inhibition effect at 60 ℃ than hydroquinone 25 times, for olefin monomer distillation and storage and transportation of efficient inhibitor, commonly used in styrene, butadiene, chloroprene, isoprene and other monomers, it is also used for vinyl chloride, vinyl pyridine, olefin, nonene, cyclopentadiene, acrylic acid, methacrylic acid and its esters, chlorinated olefin, polyurethane, etc. Also used as antioxidants of polyethylene, polypropylene, polychloroprene, synthetic rubber, nylon and other polymers, and used as oils and their derivatives, ethyl cellulose, caprolactam, maleic anhydride, lubricating oil and tin and other metal soaps and other compounds of antioxidants.
Last Update：2022-01-01 10:06:50
4-(1,1-Dimethylethyl)-1,2-benzenediol - Safety
Open Data Verified Data
The product on the eyes, skin, mucous membranes and upper respiratory tract irritation, can cause allergic reactions in the respiratory tract and skin. Store in a cool, ventilated warehouse. Keep away from fire and heat source. Protection from direct sunlight. Keep the container sealed. Should be stored separately from oxidants and acids.
Last Update：2022-01-01 10:06:52
4-(1,1-Dimethylethyl)-1,2-benzenediol - Reference Information
Open Data Unverified Data
| LogP | 1.98 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | The product has 25 times higher inhibition efficiency than hydroquinone at 60 ℃, it is a highly efficient polymerization inhibitor for the distillation or storage of olefin monomers, especially for styrene, butadiene, chloroprene, isoprene and other monomers. It is also used for vinyl chloride, vinyl pyridine, α-olefin, nonene, cyclopentadiene, isoprene, acrylic acid, methacrylic acid and its esters, chlorinated olefin, polyurethane, etc. The product is also used as polyethylene, polypropylene, polychloroprene, synthetic rubber, nylon and other polymers of antioxidants, as well as oils and their derivatives, ethyl cellulose, lubricating oil, caprolactam, maleic anhydride, antioxidants such as tin plus Metal soaps and other compounds. In addition, it can also be used for the passivation of polyurethane catalysts, pesticides and stabilizers of various organic compounds. used as a polymerization inhibitor for styrene, butadiene and other vinyl monomers, and as an antioxidant and a stabilizer for insecticides used as a polymerization inhibitor and an antioxidant used as a highly efficient polymerization inhibitor and an antioxidant; used as a passivator for carbamate catalysts; Used as a stabilizer for organic compounds |
| production method | obtained by reaction of tert-butyl alcohol with catechol or by reaction of O-diphenol with isobutylene. Tert-butyl alcohol and catechol in xylene, phosphoric acid medium condensation, reaction products by sedimentation separation, neutralization, water washing, vacuum distillation, petroleum ether recrystallization. Raw material consumption quota: catechol 800kg/t, tert-butyl alcohol (≥ 85%)1100kg/t, phosphoric acid (≥ 85%)500kg/t. |
| category | flammable solid |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LD50: 2820 mg/kg; Intravenous-mouse LD50: 32 mg/kg |
| stimulation data | Skin-rabbit 0.75 mg/24 h severe; eye-rabbit 0.050 mg severe |
| flammability hazard characteristics | when exposed to heat, flame flammable; Thermal decomposition discharge of toxic and spicy stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from food raw materials |
| fire extinguishing agent | carbon dioxide, dry powder, water mist |
| autoignition temperature | 160°C |
Last Update：2024-04-11 22:14:16
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