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| CAS No.: | 36122-03-9 |
|---|---|
| Name: | 4-T-BUTYL-5-METHOXY-O-BENZOQUINONE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C11H14O3 |
| Molecular Weight: | 194.23 |
| Synonyms: | o-Benzoquinone,4-tert-butyl-5-methoxy- (7CI);4-Methoxy-5-tert-butyl-1,2-benzoquinone;4-tert-Butyl-5-methoxy-o-benzoquinone;NSC 607536;4-tert-butyl-5-methoxycyclohexa-3,5-diene-1,2-dione; |
| Density: | 1.08 g/cm3 |
| Boiling Point: | 295 °C at 760 mmHg |
| Flash Point: | 127.3 °C |
| PSA: | 43.37000 |
| LogP: | 1.64100 |
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Specification
The 3,5-Cyclohexadiene-1,2-dione,4-(1,1-dimethylethyl)-5-methoxy-, with the CAS registry number 36122-03-9, is also known as 4-tert-Butyl-5-methoxy-1,2-benzoquinone. It belongs to the product categories of Anthraquinones; Hydroquinones; Quinones. This chemical's molecular formula is C11H14O3 and molecular weight is 194.23. What's more, its systematic name is 4-tert-butyl-5-methoxycyclohexa-3,5-diene-1,2-dione. Its storage temperature is 2-8 °C.
Physical properties of 3,5-Cyclohexadiene-1,2-dione,4-(1,1-dimethylethyl)-5-methoxy- are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.495; (8)Molar Refractivity: 52.27 cm3; (9)Molar Volume: 178.9 cm3; (10)Polarizability: 20.72×10-24 cm3; (11)Surface Tension: 35.1 dyne/cm; (12)Density: 1.08 g/cm3; (13)Flash Point: 127.3 °C; (14)Enthalpy of Vaporization: 53.47 kJ/mol; (15)Boiling Point: 295 °C at 760 mmHg; (16)Vapour Pressure: 0.00157 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-tert-Butyl-4-methoxy-phenol. This reaction will need reagents Fremy's salt, KH2PO4 and solvent H2O, acetone. The yield is about 92%.
-5-methoxy-.jpg)
Uses of 3,5-Cyclohexadiene-1,2-dione,4-(1,1-dimethylethyl)-5-methoxy-: it can be used to produce 5-tert-butyl-4-methoxy-1,2-dihydroxybenzene at the ambient temperature. It will need reagent sidium hydrosulfite and solvent aq. ethanol. The yield is about 86%.
-5-methoxy-.jpg)
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C1/C=C(\C(\OC)=C/C1=O)C(C)(C)C
(2)InChI: InChI=1/C11H14O3/c1-11(2,3)7-5-8(12)9(13)6-10(7)14-4/h5-6H,1-4H3
(3)InChIKey: CWFFIAHHCALISQ-UHFFFAOYAI