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| | 3,5-Di-tert-butylcatechol Basic information |
| Product Name: | 3,5-Di-tert-butylcatechol | | Synonyms: | 1,2-Dihydroxy-3,5-di(tert-butyl)benzene, 3,5-Di(tert-butyl)catechol;3,5-Di-tert-butylcatechol, 99% 25GR;3,5-Di-tert-butylcatechol, 99% 5GR;3,5-bis(1,1-dimethylethy;1,5-Bis(tert-butyl)-2,3-dihydroxybenzene, 3,5-Bis(tert-butyl)catechol;3,5-Bis(tert-butyl)benzene-1,2-diol;3,5-Di-tert-butylcatechol;1,2-Benzenediol, 3,5-di(1,1-dimethylethyl)- | | CAS: | 1020-31-1 | | MF: | C14H22O2 | | MW: | 222.32 | | EINECS: | 213-816-9 | | Product Categories: | Building Blocks;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;Organic Building Blocks;Oxygen Compounds;Polyols;Aromatic Phenols;Aromatic Ethers;Naphthyridine,Quinoline | | Mol File: | 1020-31-1.mol |  |
| | 3,5-Di-tert-butylcatechol Chemical Properties |
| Melting point | 95-100 °C(lit.) | | Boiling point | 145 °C / 5mmHg | | density | 1.0200 (rough estimate) | | refractive index | 1.4576 (estimate) | | storage temp. | Inert atmosphere,Room Temperature | | pka | 10.04±0.15(Predicted) | | form | Solid | | color | White to pale brown | | Water Solubility | Insoluble in water. | | BRN | 1370212 | | Stability: | Stable. Combustible. Incompatible with strong oxidizing agents. | | InChI | InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3 | | InChIKey | PJZLSMMERMMQBJ-UHFFFAOYSA-N | | SMILES | C1(O)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1O | | CAS DataBase Reference | 1020-31-1(CAS DataBase Reference) | | NIST Chemistry Reference | 1,2-Benzenediol, 3,5-bis(1,1-dimethylethyl)-(1020-31-1) | | EPA Substance Registry System | 1,2-Benzenediol, 3,5-bis(1,1-dimethylethyl)- (1020-31-1) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | F | 10-23 | | TSCA | TSCA listed | | HS Code | 29072900 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3,5-Di-tert-butylcatechol Usage And Synthesis |
| Chemical Properties | white to pale brown solid | | Uses | It is an important raw material and intermediate used in organic synthesis, Pharmaceuticals, agrochemicals and dyestuffs. | | Purification Methods | Recrystallise the catechol from pet ether. [ Ley & Müller Chem Ber 89 1402 1956, UV Flaig et al. Z Naturforschung 10b 668 1955.] Also purify it by crystallising three times from pentane [Funabiki et al. J Am Chem Soc 108 2921 1986]. |
| | 3,5-Di-tert-butylcatechol Preparation Products And Raw materials |
| Raw materials | Benzene, 1-ethoxy-2-methoxy-4-methyl--->p-methoxyphenetole-->Benzeneacetaldehyde, 2,5-dimethoxy-α-methyl--->Benzene, 4-butyl-1,2-dimethoxy--->Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetraiodo- | | Preparation Products | N, N-bis(3,5-di-tert-butyl-2-hydroxyphenyl)-1,2-diaminoethane |
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