3,5-Cyclohexadiene-1,2-dione,4-(1,1-dimethylethyl)-5-methoxy- supplier

Name
4-T-BUTYL-5-METHOXY-O-BENZOQUINONE
EINECS
CAS No. 36122-03-9
Article Data8
CAS DataBase
Density 1.08 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄O₃
Boiling Point 295 °C at 760 mmHg
Molecular Weight 194.23
Flash Point 127.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 43.37000
LogP 1.64100

3,5-Cyclohexadiene-1,2-dione,4-(1,1-dimethylethyl)-5-methoxy- 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%.

3,5-Cyclohexadiene-1,2-dione,4-(1,1-dimethylethyl)-5-methoxy- can be prepared by 3-tert-Butyl-4-methoxy-phenol

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%.

3,5-Cyclohexadiene-1,2-dione,4-(1,1-dimethylethyl)-5-methoxy- can produce 5-tert-butyl-4-methoxy-1,2-dihydroxybenzene.

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

Product Name

4-T-BUTYL-5-METHOXY-O-BENZOQUINONE

3,5-Cyclohexadiene-1,2-dione,4-(1,1-dimethylethyl)-5-methoxy- Specification

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