Diphenyl ether CAS 101-84-8
Introduction：Basic information about Diphenyl ether CAS 101-84-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Diphenyl ether Basic information
| Product Name: | Diphenyl ether |
| Synonyms: | AKOS BBS-00004250;AKOS 90362;FEMA 3667;DIPHENYL OXIDE;DIPHENYL ETHER;DEPHENYL OXIDE;biphenyloxide;Chemcryl JK-EB |
| CAS: | 101-84-8 |
| MF: | C12H10O |
| MW: | 170.21 |
| EINECS: | 202-981-2 |
| Product Categories: | Pyridines ,Halogenated Heterocycles;FINE Chemical & INTERMEDIATES;Pharmaceutical Intermediates;Organics;Biphenyl & Diphenyl ether;DIG-DY;Bioactive Small Molecules;Building Blocks;C11 to C12;Cell Biology;Chemical Synthesis;Ethers;Organic Building Blocks;Oxygen Compounds;Aromatics, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals;101-84-8 |
| Mol File: | 101-84-8.mol |
Diphenyl ether Chemical Properties
| Melting point | 26 °C |
| Boiling point | 259 °C(lit.) |
| density | 1.073 g/mL at 25 °C(lit.) |
| vapor density | >5.86 (25 °C, vs air) |
| vapor pressure | <1 mm Hg ( 20 °C) |
| refractive index | n |
| FEMA | 3667 | DIPHENYL ETHER |
| Fp | >230 °F |
| storage temp. | Store below +30°C. |
| solubility | alcohol: soluble(lit.) |
| form | Colorless liquid |
| color | White or Colorless to Almost white or Almost colorless |
| Specific Gravity | 1.073 |
| Relative polarity | 2.8 |
| Odor | Weak geranium. |
| Odor Threshold | 0.1ppm |
| Odor Type | green |
| biological source | synthetic |
| explosive limit | 0.8-1.5%(V) |
| Water Solubility | insoluble |
| FreezingPoint | 27℃ |
| JECFA Number | 1255 |
| Merck | 14,7288 |
| BRN | 1364620 |
| Henry's Law Constant | 2.13 at 20 °C (approximate - calculated from water solubility and vapor pressure) |
| Exposure limits | NIOSH REL: TWA 1 ppm (7 mg/m3), IDLH 100 ppm; OSHA PEL: TWA 1ppm; ACGIH TLV: TWA 0.1, STEL 2 ppm (adopted). |
| Dielectric constant | 3.7（30℃） |
| Cosmetics Ingredients Functions | FRAGRANCE |
| InChI | 1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H |
| InChIKey | USIUVYZYUHIAEV-UHFFFAOYSA-N |
| SMILES | O(c1ccccc1)c2ccccc2 |
| LogP | 4.21 at 25℃ |
| CAS DataBase Reference | 101-84-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Diphenyl ether(101-84-8) |
| EPA Substance Registry System | Phenyl ether (101-84-8) |
Safety Information
| Hazard Codes | N,Xi,T |
| Risk Statements | 51/53-36/37/38-39/23/24/25-23/24/25-36/38-36 |
| Safety Statements | 60-61-57-37/39-26-45-36/37 |
| RIDADR | UN 3077 9/PG 3 |
| OEB | B |
| OEL | TWA: 1 ppm (7 mg/m3) |
| WGK Germany | 2 |
| RTECS | KN8970000 |
| Autoignition Temperature | 610 °C |
| TSCA | TSCA listed |
| HS Code | 2909 30 10 |
| HazardClass | 9 |
| PackingGroup | III |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 2 Eye Irrit. 2 |
| Hazardous Substances Data | 101-84-8(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 2450 mg/kg LD50 dermal Rabbit > 7940 mg/kg |
| IDLA | 100 ppm |
| Description | Diphenyl ether (diphenyl oxide) is a colorless liquid with a floral odor. It is a white, crystalline solid at temperatures below 80ºF (27ºC). It has low volatility, low solubility in water, and is stable at high temperatures. Avoid contact with oxidizing materials. Liquid diphenyl oxide is used primarily in industry. It is used in the industrial setting as a heat transfer fluid. It is the major component of Dowtherm A® (an eutectic mixture of phenyl ether and biphenyl) and further as a chemical intermediate in the production of surface-active agents and hightemperature lubricants, and in perfumery due to its geranium-like odour (ACG99b). It is also used as a chemical intermediate in the manufacture of surfactants and fire retardants. Diphenyl oxide (DPO) is manufactured using the direct phenol method. |
| Physical properties | Diphenyl oxide is a practically colorless crystalline solid with a harsh, floral-green, metallic geranium-type odor. clear pale yellowish liquid after melting. It is almost completely insoluble in water, but dissolves in most of the common organic solvents. Its high thermal stability at temperatures as high as 350 to 400°C. together with its noncorrosiveness and general chemical inertness make it eminently suitable as a component of high-boiling heat transfer media. |
| Chemical Properties | Diphenyl Ether has not been observed in nature. It is a colorless liquid or a crystalline solid (mp 26.8°C) with an odor reminiscentof geranium leaves. Diphenyl ether is obtained as a by-product in the productionof phenol by high-pressure hydrolysis of chlorobenzene. Because of its stabilityand low price, diphenyl ether is used in large quantities in soap perfumes. |
| Occurrence | Reported found in muscat grapes, grilled beef, green tea, potato chips, buckwheat, Bourbon vanilla and lemon balm. |
| Uses | Phenyl Ether is an Impurity of Propofol (P829750). |
| Uses | Diphenyl ether is widely used as a heat transfer agent and a dye carrier. It can be used alone or as a mixture with other materials. Because of its reactivity, It can also be used as a raw material or chemical intermediate to produce commercial products. Diphenyl ether is used in the production of:
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| Definition | ChEBI: Diphenyl ether is an aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla. It has a role as a plant metabolite. |
| Preparation | By heating potassium phenolate with bromobenzene or with chlorobenzene at elevated temperatures. |
| Aroma threshold values | Aroma characteristics at 1.0%: grassy, musty, powdery, dry, terpy, ocimenelike, aromatic and hoplike withgreen juniper berry nuances. |
| Taste threshold values | Taste characteristics at 10 ppm: dry chemical, floral rosey with carrot, tropical and hoplike terpy notes anda green vegetative and woody nuance. |
| Synthesis Reference(s) | Synthetic Communications, 13, p. 335, 1983 DOI: 10.1080/00397918308066985 Synthesis, p. 204, 1991 DOI: 10.1055/s-1991-26419 |
| General Description | Diphenyl ether occurs, e.g., in lemon balm oil. The compound forms colorless crystals that possess a geranium-like aroma. Diphenyl ether is formed as a byproduct in the high-pressure hydrolysis of chlorobenzene. Because of its high thermal stability, a eutectic mixture of diphenyl ether and biphenyl is employed as a heat transfer medium. Diphenyl ether is the starting material for organic intermediates and is used as a fragrance component. The compound is also employed as a processing aid in the production of polyesters; several polybromine derivatives of diphenyl ether are used as fire retardants. |
| General Description | Colorless liquid with a mild pleasant odor. May float or sink in water. Freezing point is 81°F. |
| Air & Water Reactions | Insoluble in water. |
| Reactivity Profile | Diphenyl oxide can react with oxidizing materials. . A vigorous reaction occurred between the ether and chlorosulfuric acid. |
| Health Hazard | Inhalation may cause nausea because of disagreeable odor. Contact of liquid with eyes causes mild irritation. Prolonged exposure of skin to liquid causes reddening and irritation. Ingestion produces nausea. |
| Fire Hazard | Diphenyl oxide is combustible. |
| Flammability and Explosibility | Non flammable |
| Safety Profile | Moderately toxic by ingestion. Prolonged exposure damages liver, spleen, kidneys, and thyroid, and upsets gastrointestinal tract. A skin and eye irritant. Combustible when exposed to heat or flame; can react with oxidizing materials. For explosion hazard, see ETHERS. To fight fire, use water, foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes |
| Potential Exposure | Strong oxidizers may cause fire andexplosions. Attacks some plastics, rubber, and coatings. |
| First aid | Wear protective gloves andclothing to prevent any reasonable probability of skin contact. Safety equipment suppliers/manufacturers can providerecommendations on the most protective glove/clothingmaterial for your operation. All protective clothing (suits,gloves, footwear, headgear) should be clean, available eachday, and put on before work. Contact lenses should not beworn when working with this chemical. Wear splash-proofgoggles and face shield if working with the liquid or dustproof chemical goggles and face shield if working with thecrystalline material, unless full face-piece respiratory protection is worn. Employees should wash immediately withsoap when skin is wet or contaminated. Provide emergencyshowers and eyewash.Respirator Selection: 2 |
| Carcinogenicity | Phenyl ether was not mutagenic in theAmes Salmonella assay with or without metabolic activation. |
| storage | Color Code—Green: General storage may be used.Prior to working with diphenyl oxide you should be trainedon its proper handling and storage. Before entering confinedspace where this chemical may be present, check to makesure that an explosive concentration does not exist. Store intightly closed containers in a cool, well-ventilated areaaway from oxidizers. Store in tightly closed containers in acool, well-ventilated area away from heat. Sources of ignition, such as smoking and open flames, are prohibitedwhere this chemical is used, handled, or stored in a mannerthat could create a potential fire or explosion hazard. Metalcontainers involving the transfer of 5 gallons or more ofthis chemical should be grounded and bonded. Drums mustbe equipped with self-closing valves, pressure vacuumbungs, and flame arresters. Use only nonsparking tools andequipment, especially when opening and closing containersof this chemical. |
| Shipping | The name of this material is not in the DOT listof materials for label and packaging standards. However,based on regulations, it may be classified as anEnvironmentally hazardous substances, solid, n.o.s. Thischemical requires a shipping label of “CLASS 9.” It falls inHazard Class 9 and Packing Group III.[20, |
| Purification Methods | Crystallise the ether from 90% EtOH. Melt it, wash it with 3M NaOH and water, dry it with CaCl2 and fractionally distil it under reduced pressure. Fractionally recrystallise it from its melt and store over P2O5. [Beilstein 6 IV 562.] |
| Toxics Screening Level | The initial threshold screening level (ITSL) for diphenyloxide (also known as phenyl ether) is 70 μg/m3 based on an eight hour averaging time. |
Diphenyl ether Preparation Products And Raw materials
| Raw materials | Sodium hydroxide-->Hydrochloric acid-->Potassium hydroxide-->Phenol-->Chlorobenzene-->Copper(II) sulfate-->Copper-->potassium phenolate |
| Preparation Products | 4-IODOQUINOLINE-->Decabromodiphenyl oxide-->7-TRIFLUOROMETHYL-4-QUINOLINETHIOL-->Triclosan-->6-bromoquinolin-4(3H)-one-->7-BROMO-3,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID-->2-Piperazinone-->ETHYL 4-CHLOROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLATE-->4-Hydroxy carbazole-->(OXYDI-2,1-PHENYLENE)BIS(DIPHENYLPHOSPHINE)-->7-(TRIFLUOROMETHYL)-4-QUINOLINOL-->4-HYDROXY-7-TRIFLUOROMETHYL-3-QUINOLINECARBOXYLIC ACID-->4-Hydroxy-2-methylquinoline-->5,7-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE-->Nimesulide-->5,7-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE-->Pyriproxyfen-->3,4-DIHYDRO-8-HYDROXY-4-OXOQUINOLINE-3-CARBOXYLIC ACID-->Ethyl 7-bromo-3,4-dihydro-4-oxoquinoline-3-carboxylate ,97%-->5,7-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID-->4-HYDROXY-5,7-BIS-TRIFLUOROMETHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER-->4-HYDROXY-8-METHOXYQUINOLINE-3-CARBOXYLIC ACID-->4-Chloro-7-(trifluoromethyl)quinoline-->Tracid Brilliant Red B-->ETHYL 4-HYDROXY-7-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE-->ETHYL 4-HYDROXY-6-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE-->fluorocarbon sulfactant 6201-->3-METHYL-4-PYRIDINECARBOXYLIC ACID-->2-PHENOXYPHENYLBORONIC ACID-->4-HYDROXY-8-METHOXY-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER-->PHOSFOLAN-->A-METHYL-3-PHENOXYBENZENEACETALDEHYDE-->PHENOXATHIIN-->4-(4-chlorophenoxy-2‘-chlorophenyl-α-bromo ethanone)-->Disodium 4-dodecyl-2,4'-oxydibenzenesulfonate-->FENOPROFEN-->DICLOFOP-METHYL-->corrosion inhibitor PTX-4-->Pentabromodiphenyl ether-->TRIETHYL M-PHENOXYBENZYL AMMOUIUM CHLORIDE |
