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| CAS No.: | 122-94-1 |
|---|---|
| Name: | 4-Butoxyphenol |
| Article Data: | 41 |
| Molecular Structure: | |
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|
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| Formula: | C10H14O2 |
| Molecular Weight: | 166.22 |
| Synonyms: | Phenol,p-butoxy- (6CI,7CI,8CI);4-n-Butoxyphenol;Hydroquinone butylether;Hydroquinone monobutyl ether;NSC 60292;p-Butoxyphenol; |
| EINECS: | 204-583-4 |
| Density: | 1.029 g/cm3 |
| Melting Point: | 65-66 °C(lit.) |
| Boiling Point: | 277.993 °C at 760 mmHg |
| Flash Point: | 132.369 °C |
| Appearance: | Pale brown to brown crystalline powder |
| Hazard Symbols: |
 Xn, Xi, T
|
| Risk Codes: | 22-40-41-52/53-42/43-36/37/38-23/24/25-45 |
| Safety: | 26-36/37/39-61-53-45-22 |
| Transport Information: | UN 2811 |
| PSA: | 29.46000 |
| LogP: | 2.57110 |
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Specification
The 4-Butoxyphenol, with the CAS registry number 122-94-1, is also known as 4-n-Butoxyphenol. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Aromatic Phenols; Building Blocks for Liquid Crystals; Functional Materials; Phenols (Building Blocks for Liquid Crystals); Organic Building Blocks; Oxygen Compounds; Phenols; Aromatics; Impurities. Its EINECS registry number is 204-583-4. This chemical's molecular formula is C10H14O2 and molecular weight is 166.22. What's more, its IUPAC name is the same with the product name. It can be used as intermediates of liquid crystals.
Physical properties about 4-Butoxyphenol are: (1)ACD/LogP: 2.884; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 91.58; (6)ACD/BCF (pH 7.4): 91.47; (7)ACD/KOC (pH 5.5): 882.79; (8)ACD/KOC (pH 7.4): 881.77; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 48.712 cm3; (15)Molar Volume: 161.386 cm3; (16)Polarizability: 19.311×10-24cm3; (17)Surface Tension: 37.105 dyne/cm; (18)Density: 1.03 g/cm3; (19)Flash Point: 132.369 °C; (20)Enthalpy of Vaporization: 53.736 kJ/mol; (21)Boiling Point: 277.993 °C at 760 mmHg; (22)Vapour Pressure: 0.0030 mmHg at 25 °C.
Preparation of 4-Butoxyphenol: this chemical can be prepared by benzene-1,4-diol with 1-bromo-butane. This reaction needs reagents K2CO3 and Carbowax 6000 at temperature of 170 °C. The yield is 54 %.
Uses of 4-Butoxyphenol: it is used to produce other chemicals. For example, it can react with 2,6-dichloro-[1,4]benzoquinone-4-chlorimin to get [1,4]benzoquinone-mono-(3,5-dichloro-4-hydroxy-phenylimine). The reaction occurs with reagent borate buffer and solvent ethanol. The reaction time is 2 hours. The yield is 62 %.
![4-Butoxyphenol can react with 2,6-dichloro-[1,4]benzoquinone-4-chlorimin to get [1,4]benzoquinone-mono-(3,5-dichloro-4-hydroxy-phenylimine).](/UserFilesUpload/Uses of 4-Butoxyphenol.jpg)
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health at low levels and it may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is toxic by inhalation, in contact with skin and if swallowed. The product is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell you should seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(O)cc1)CCCC
(2) InChI: InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3
(3) InChIKey: MBGGFXOXUIDRJD-UHFFFAOYSA-N