4-Phenoxyphenol
Basic information
- CAS
831-82-3- Standard SMILES
Oc1ccc(Oc2ccccc2)cc1- InChIKey
ZSBDGXGICLIJGD-UHFFFAOYSA-N- Molecular formula
- C12H10O2
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.06807956
Overview
4-phenoxyphenol is a phenoxyphenol.
Names & identifiers
- Preferred name
- 4-Phenoxyphenol
- IUPAC
- 4-phenoxyphenol
- English name
- 4-Phenoxyphenol
- Molecular formula
- C12H10O2
- Molecular weight
- 186.21
Names & synonyms
4-PHENOXYPHENOL831-82-3p-Phenoxyphenol4-Hydroxydiphenyl etherp-Hydroxydiphenyl etherPhenol, 4-phenoxy-Phenol, p-phenoxy-DTXSID2022127D83R742GJRCHEBI:39264NSC-25027DTXCID802127
Show more names
POPPHENOXYPHENOLAKOS BC-07064-phenoxy-phenoPARA-PHENOXYPHENOL
RefChem:858164212-611-1Hydroquinone monophenyl etherBIF-444-(phenyloxy)phenol4-phenoxy-phenolMFCD00002331STR06800
Database identifiers
- CAS
831-82-3- PubChem CID
- 13254
- DTXSID
DTXSID2022127- ChEMBL
CHEMBL224318- ChEBI
CHEBI:39264- UNII
- D83R742GJR
- EC Number
- 212-611-1
- Nikkaji
- J94.839J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP3.92
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section145.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2022127]
Physicochemical properties
- Melting point
- 80 · 80-84 °C (lit.)
- Boiling point
- 177 · 177-180°C (11 mmHg)
- Density
- 1.1032 · 1.1032 (rough estimate)
- vapor pressure
- 0.01 · 0.01-0.121Pa at 25℃
- refractive index
- 1.601 · 1.6010 (estimate)
- Flash point
- 177 · 177-180°C/9mm
- storage temp.
- Inert atmosphere,Room Temperature
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (48.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: 4-phenoxyphenol (EC: 212-611-1)
Phenol, 4-phenoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (48.1%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29095090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationPhenol, 4-phenoxy-: ACTIVE
Applications
Uses4-Phenoxyphenol is a porous organic material with dumbbell channels that appear throughout its structure. These channels can also host solvent molecules during crystal growth. 4-Phenoxyphenol is also part of a group of phenolic compounds that have potential apoptotic activity, which can be used in the development of new treatments for cancer therapy.
Upstream & downstream products
Upstream raw materials
Related reactions
144 records
Compound notes
Loading…