phenoxybenzene

• ChemBase ID: 89158
• Molecular Formular: C12H10O
• Molecular Mass: 170.2072
• Monoisotopic Mass: 170.07316494
• SMILES: O(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
• InChIKey: USIUVYZYUHIAEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenoxybenzene
• IUPAC Traditional name: diphenyl-ether
• Synonyms: 1,1'-Oxydibenzene; Diphenyl ether; Phenyl ether; Diphenyl ether; Diphenyl oxide; 1,1'-Oxybisbenzene; Phenoxybenzene; 1,1'-Oxybis[benzene]; Barrel Therm 330; Biphenyl Oxide; Chemcryl JK-EB; Diphenyl Ether; NSC 19311; Oxybisbenzene; Phenyl Oxide; Phenyl Ether; 联苯醚; 苯醚; 二苯醚

Database IDs

• CAS Number: 101-84-8
• EC Number: 202-981-2
• MDL Number: MFCD00003034
• Beilstein Number: 1364620
• Merck Index: 147288
• PubChem SID: 24854438; 162076042; 24898325; 24901840
• PubChem CID: 7583
• CHEBI ID: 39258
• CHEMBL: 38934
• Chemspider ID: 7302
• FEMA ID: 3667
• Unique Ingredient Identifier: 3O695R5M1U
• Wikipedia Title: Diphenyl_ether
• Council of Europe Number: 2201
• Flavis Number: 4.035

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.473533
• LogD (pH = 7.4): 3.473533
• Log P: 3.473533
• Molar Refractivity: 52.2988 cm^3
• Polarizability: 20.709755 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: Colorless solid or liquid with a geranium-like odor
• Melting Point: 25–26 °C; 25-27 °C(lit.); 25-27°C; 26-29°C; 27-29 °C
• Boiling Point: 121 °C at 1.34 kPa (10.05 mm Hg), 258 °C at 100 kPa (1 bar); 258-260°C; 258-260°C; 259 °C(lit.)
• Flash Point: 115 °C; 115°C; 115 °C (388.15 K); 125°C(257°F); 239 °F
• Auto Ignition Point: 1144 °F
• Density: 1.071; 1.073; 1.073 g/mL at 25 °C(lit.)
• Refractive Index: 1.5805; n20/D 1.579(lit.)
• Vapor Pressure: <1 mmHg ( 20 °C)
• Vapor Density: >5.86 (25 °C, vs air)
• Organoleptic: geranium; green

Safety Information

• Storage Warning: Irritant/Corrosive
• RTECS: KN8970000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077; UN3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 36-51/53; 41-51/53
• Safety Statements: 26-39-60-61; 26-57-60
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• NFPA704:
  

  1

  2
• Explode Limits: 1.5 %
• GHS Hazard statements: H318; H319-H303-H401-H411
• GHS Precautionary statements: P280-P273-P305+P351+P338-P312-P337+P313-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Pharmacology Properties

• Gene Information: human ... TTR(7276)
• Allergens: no known allergens

Product Information

• Purity: ≥98.0%; ≥99%; ≥99.9%; ≥99.9% (GC); 99%
• Grade: Halal; Kosher; NI; ReagentPlus®; SAJ first grade; Selectophore™
• Linear Formula: (C6H5)2O

DETAILS

Sigma Aldrich - 240834

Packaging
5, 100 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - W366706

Packaging
1 kg in glass bottle
1 sample in glass bottle
10, 25 kg in poly drum

Sigma Aldrich - 67334

Application
Used as plasticizing solvent mediator for PVC-based membranes1.
General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

Sigma Aldrich - P24101

Packaging
1, 3 kg in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Toronto Research Chemicals - P321330

Phenyl Ether is an impurity of Propofol (P829750).

REFERENCES

• Bahri, M., et al.: Biophys. Chem., 129, 82 (2007)
• Foti, M., et al.: J. Pharm. Pharmacol., 59, 1673 (2007)
• Vasileiou, I., et al.: Eur. J. Pharmacol., 605, 1 (2007)
• Useful reaction medium for high-temperature reactions, e.g. cyclizations and decarboxylations.