4-Propylphenol CAS 645-56-7
Introduction：Basic information about 4-Propylphenol CAS 645-56-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-Propylphenol Basic information
| Product Name: | 4-Propylphenol |
| Synonyms: | PARA-N-PROPYLPHENOL;4-N-PROPYLPHENOL 99+%;1-(p-Hydroxyphenyl)propane;PARA-PROPYLPHENOL;3PO;p-propyl-pheno;P-n-protyl phenol;4-PROPYLPHENOL 97+% |
| CAS: | 645-56-7 |
| MF: | C9H12O |
| MW: | 136.19 |
| EINECS: | 211-446-2 |
| Product Categories: | Building Blocks;C9 to C20+;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;Phenols;Aromatic Phenols;Liquid Crystal intermediates;Building Blocks for Liquid Crystals;Functional Materials;Phenols (Building Blocks for Liquid Crystals);phenol Flavor |
| Mol File: | 645-56-7.mol |
4-Propylphenol Chemical Properties
| Melting point | 22°C |
| Boiling point | 232 °C(lit.) |
| density | 0.983 g/mL at 25 °C(lit.) |
| FEMA | 3649 | P-PROPYLPHENOL |
| refractive index | n |
| Fp | 232 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| pka | 9.99±0.13(Predicted) |
| form | Liquid |
| color | Clear yellow |
| Specific Gravity | 0.99 |
| Odor | at 0.10 % in propylene glycol. medicinal phenolic |
| Odor Type | phenolic |
| biological source | synthetic |
| Water Solubility | 1.427g/L(25 ºC) |
| JECFA Number | 696 |
| BRN | 1363429 |
| InChI | 1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3 |
| InChIKey | KLSLBUSXWBJMEC-UHFFFAOYSA-N |
| SMILES | CCCc1ccc(O)cc1 |
| LogP | 3.01 |
| CAS DataBase Reference | 645-56-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Phenol, 4-propyl-(645-56-7) |
| EPA Substance Registry System | p-Propylphenol (645-56-7) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-28-36/37/39-45-36 |
| RIDADR | UN 3145 8/PG 3 |
| WGK Germany | 3 |
| RTECS | SM8610000 |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 29071900 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Aquatic Chronic 3 Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |
| Chemical Properties | CLEAR YELLOW LIQUID |
| Occurrence | Reported found in rum, malt whiskey and malt. |
| Uses | Intermediates of Liquid Crystals |
| Application | 4-Propylphenol can be used as pharmaceutical intermediates and organic synthesis intermediates, mainly for laboratory research and development processes. |
| Definition | ChEBI: 4-Propylphenol is an alkylbenzene. |
| Aroma threshold values | Detection: 500 ppb |
| Synthesis Reference(s) | Tetrahedron Letters, 19, p. 2545, 1978 DOI: 10.1016/S0040-4039(01)94822-1 |
4-Propylphenol Preparation Products And Raw materials
| Raw materials | 4-propylcatechol-->Homovanillyl alcohol-->4-Ethyl-2-methoxyphenol-->2-Methoxy-4-methylphenol-->4-Methylcatechol-->DIHYDROEUGENOL-->Guaiacol-->Catechol-->2,6-dipropylphenol-->Cyclohexene, 4-propyl- |
| Preparation Products | Ciprofibrate-->PROPYLCYCLOHEXANE |
