- 4-Hexyloxyphenol
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- $0.01 / 1KG
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2020-01-08
- CAS:18979-55-0
- Min. Order: 1KG
- Purity: 98%; 99%
- Supply Ability: 1kg；10kg; 25kg
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| | 4-Hexyloxyphenol Basic information |
| | 4-Hexyloxyphenol Chemical Properties |
| Melting point | 45-47 °C (lit.) | | Boiling point | 112 °C / 3mmHg | | density | 1.0010 (rough estimate) | | refractive index | 1.5050 (estimate) | | Fp | >230 °F | | storage temp. | Inert atmosphere,Room Temperature | | solubility | within almost transparency in Methanol | | pka | 10.36±0.15(Predicted) | | form | powder to crystal | | color | White to Light yellow to Light orange | | BRN | 473079 | | InChI | 1S/C12H18O2/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,13H,2-5,10H2,1H3 | | InChIKey | XIIIHRLCKLSYNH-UHFFFAOYSA-N | | SMILES | CCCCCCOc1ccc(O)cc1 | | CAS DataBase Reference | 18979-55-0(CAS DataBase Reference) | | EPA Substance Registry System | Phenol, 4-(hexyloxy)- (18979-55-0) |
| Hazard Codes | Xn,N,Xi | | Risk Statements | 22-36/37/38-51/53 | | Safety Statements | 26-36-61-37/39 | | RIDADR | UN 3077 9 / PGIII | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | 9 | | HS Code | 29095000 | | Storage Class | 13 - Non Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| | 4-Hexyloxyphenol Usage And Synthesis |
| Chemical Properties | light beige to brown crystalline solid | | Uses | Intermediates of Liquid Crystals | | Definition | ChEBI: 4-Hexyloxyphenol is an aromatic ether. | | General Description | 4-(Hexyloxy)phenol is a lead anti-melanoma agent against B16-F0 melanoma cells with minimal metabolism by rat liver P450 microsomal preparation. | | Synthesis | The reaction of 1-(benzyloxy)-4-(hexyloxy)benzene (12.97 g) as raw material with 5% Pd/C (1.2 g) in 200 mL of 1:1 methanol/ethyl acetate solvent mixture was stirred under hydrogen atmosphere for 16 hours. The progress of the reaction was monitored by thin layer chromatography (TLC) to confirm complete consumption of the raw materials. Upon completion of the reaction, the mixture was filtered through diatomaceous earth to remove the catalyst. Subsequently, the solvent in the filtrate was replaced with a 12% ethyl acetate/hexane mixture and filtered through a silica gel pad. Finally, the filtrate was concentrated to give 8.84 g of 4-(hexoxy)phenol. The product was detected by TLC with an Rf value of 0.21 (unfolding agent 10% ethyl acetate/hexane).1H NMR (CDCl3) data were as follows: δ 6.80-6.72 (m, 4H), 3.88 (t, 2H, J = 6.7Hz), 1.79-1.68 (m, 2H), 1.48-1.30 (m, 6H), 0.91-0.86 (m , 3H). | | References | [1] Patent: WO2014/120995, 2014, A2. Location in patent: Page/Page column 100
[2] Molecular Crystals and Liquid Crystals, 2013, vol. 570, # 1, p. 20 - 35
[3] RSC Advances, 2015, vol. 5, # 127, p. 105066 - 105078 |
| | 4-Hexyloxyphenol Preparation Products And Raw materials |
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