Phenol, 4,4',4'',4'''-(1,2-ethanediylidene)tetrakis-
Basic information
- CAS
7727-33-5- Standard SMILES
Oc1ccc(C(c2ccc(O)cc2)C(c2ccc(O)cc2)c2ccc(O)cc2)cc1- InChIKey
HDPBBNNDDQOWPJ-UHFFFAOYSA-N- Molecular formula
- C26H22O4
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.15180918
Names & identifiers
- Preferred name
- Phenol, 4,4',4'',4'''-(1,2-ethanediylidene)tetrakis-
- IUPAC
- 4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol
- English name
- 1,1,2,2-Tetrakis(4-hydroxyphenyl)ethane
- Molecular formula
- C26H22O4
- Molecular weight
- 398.45
Names & synonyms
7727-33-51,1,2,2-Tetrakis(4-hydroxyphenyl)ethanePhenol, 4,4',4'',4'''-(1,2-ethanediylidene)tetrakis-4,4',4'',4'''-EthanediylidenetetraphenolNSC 310098EINECS 231-782-3DTXSID2064785RefChem:172777DTXCID9047966HDPBBNNDDQOWPJ-UHFFFAOYSA-N4,4',4'',4'''-(Ethane-1,1,2,2-tetrayl)tetraphenol1,1,2,2-Tetrakis(p-hydroxyphenyl)ethane
Show more names
1,1,2,2-ETHANETETRA-P-PHENOL(E)-9-octadecenoic acid pentyl ester4,4’,4’’,4’’’-Ethanediylidenetetraphenol1,1,2,2-Tetrakis(p-hydroxyphenyl)ethane powder4,4',4'',4'''-(1,1,2,2-Ethanetetrayl)tetraphenol
4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenoltetraphenolethaneMFCD00002371Ethanediylidenetetrakisphenol4,4',4'',4'''-(1,2-Ethanediylidene)tetrakis(phenol)1,1,2,2-tetrakis-(4-hydroxyphenyl)ethane1,1,2,2-Tetrakis(p-hydroxyphenyl)ethane, powderNSC310098
Database identifiers
- CAS
7727-33-5- PubChem CID
- 82180
- DTXSID
DTXSID2064785- EC Number
- 231-782-3
- Nikkaji
- J236.369K
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 403
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 250 °C · >250°C (dec.)
- Boiling point
- 566.4 · 566.4±45.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- powder
- pka
- 9.66 · 9.66±0.10(Predicted)
- color
- off-white
- Stability
- Hygroscopic
- InChI
- InChI=1S/C26H22O4/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16,25-30H
- InChIKey
- HDPBBNNDDQOWPJ-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
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
This chemical does not meet GHS hazard criteria for 57.3% (55 of 96) of all reports.
Danger
H318 (42.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 96 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (42.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG 3
- risk_code
- 40-50/53-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09
- hazard_code
- Xn,N,Xi
- safety_code
- 36/37-61-60-39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318-H400
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1
- Precautionary statements
- P273-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4,4',4'',4'''-(1,2-ethanediylidene)tetrakis-: ACTIVE
Applications
Uses1,1,2,2-Tetrakis(p-hydroxyphenyl)ethane (cas# 7727-33-5) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
1 records
Compound notes
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