Basic information
- CAS
2455-71-2- Standard SMILES
c1ccc(Oc2cccc(Oc3cccc(Oc4cccc(Oc5ccccc5)c4)c3)c2)cc1- InChIKey
KOKDSALTQSQPDH-UHFFFAOYSA-N- Molecular formula
- C30H22O4
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.15180918
Names & identifiers
- Preferred name
- 1,3-Bis(3-phenoxyphenoxy)benzene
- IUPAC
- 1,3-bis(3-phenoxyphenoxy)benzene
- English name
- m-Bis(m-phenoxyphenoxy)benzene
- Molecular formula
- C30H22O4
- Molecular weight
- 446.49
Names & synonyms
1,3-Bis(3-phenoxyphenoxy)benzenem-Bis(m-phenoxyphenoxy)benzene2455-71-2Benzene, 1,3-bis(3-phenoxyphenoxy)-m,m,m-5 F4 EBenzene, m-bis(m-phenoxyphenoxy)-6IXO403NRUSANTOVAC 5NSC-57094SANTOVAC 5P ULTRADTXSID5062429RP-54
Show more names
1,3-bis(3-phenoxyphenoxy)-benzen1,3-bis(3-phenoxyphenoxy)-Benzene1,1'-[3,1-Phenylenebisoxybis(3,1-phenyleneoxy)]bisbenzene
OS-124RefChem:72505DTXCID3037094219-530-01,1'-[1,3-Phenylenebis(oxy)]bis(3-phenoxybenzene)EINECS 219-530-0NSC 57094NSC57094
Database identifiers
- CAS
2455-71-2- PubChem CID
- 75565
- DTXSID
DTXSID5062429- UNII
- 6IXO403NRU
- EC Number
- 219-530-0
- Nikkaji
- J216.093E
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 522
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Aromatic Compounds
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLight yellow liquid with no to mild odor of phenol; [SantoLubes MSDS]
Physicochemical properties
- Melting point
- 42.8 °C · 42.8 °C
- Boiling point
- 295 · 295-305 °C(Press: 1.0 Torr)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 IXO403NRU · 6IXO403NRU
- EPA Substance Registry System
- 1 · Benzene, 1,3-bis(3-phenoxyphenoxy)- (2455-71-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzene, 1,3-bis(3-phenoxyphenoxy)-
Hazards Summary
Causes degenerative changes to brain and changes in erythrocyte count in 153-day intermittent oral studies of rats; [RTECS] No mortality observed in acute inhalation lethal-concentration study at the highest concentration possible (from heating to 329 degrees C); Not irritating to skin or eyes of rabbits; Increased liver weight and hepatocytes hypertrophy observed in repeated-dose dermal study using a different polyphenyl ether formulation; A similar compound produced no skin irritation or allergic reactions in a study of human volunteers; [SantoLubes MSDS] See Phenyl ether.
Toxicology
Toxicity DataLC50 (rat) > 47,000 mg/m3
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,3-bis(3-phenoxyphenoxy)-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers6 total
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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