4-Phenoxyphenol

HCID 13254CAS 831-82-3
Substructure searchFind similar structures

Basic information

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

Experimental & physicochemical properties

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
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

Safety & regulation

GHS classification

GHS Classification · 4 items

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 · 2 items

Status: Active Update: 29-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27012

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

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationPhenol, 4-phenoxy-: ACTIVE
Applications · 1 item

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

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]

Additional notes

DefinitionChEBI: 4-phenoxyphenol is a phenoxyphenol.

Related reactions

144 records
New reaction record

Linked notes

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